NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1917 8.3144 121.7900 55.7025 32.9632 175.1288 2 E 3.8261 8.5789 128.6637 54.3537 30.1053 175.0106 3 T 4.2208 8.8079 118.9057 61.5418 71.8973 174.5389 4 A 4.0213 8.5771 123.6381 55.2930 18.4988 180.0309 5 A 4.1333 8.0027 118.6814 55.3640 18.5155 179.5994 6 A 4.0220 8.0944 119.3843 55.0519 18.3569 179.7645 7 K 4.1076 8.2808 119.6768 58.9879 32.1770 178.7834 8 F 4.1165 8.4482 120.9272 61.4637 39.3490 176.9442 9 E 3.9855 8.3457 118.0398 59.4058 29.0258 179.4278 10 R 3.8736 7.9703 117.8172 59.5631 30.2929 178.2517 11 Q 3.9969 7.9954 116.4947 57.8859 29.0284 176.2112 12 H 4.6154 8.0186 114.0262 53.7404 31.4947 173.0134 13 M 4.7227 7.8359 118.7350 53.6853 33.7000 176.8461 14 D 4.8408 8.7741 122.3624 53.8482 42.3010 175.7515 15 S 4.6345 8.6786 116.3684 59.2796 63.6572 175.7034 16 S 4.3117 8.0358 114.7758 61.5075 63.5279 175.5986 17 T 4.3525 7.0631 114.8209 62.4643 67.9524 177.3506 *22 S 4.2212 8.5926 126.0925 58.9748 62.7930 174.0900 23 S 4.3303 8.7609 121.5575 60.1987 63.4062 174.0898 24 N 4.7448 7.9482 119.1520 53.6149 39.0131 175.3560 25 Y 4.0008 7.8197 118.4359 61.8362 38.6419 177.5200 26 C 4.0816 8.5949 116.9268 60.1834 38.6369 175.8803 27 N 4.3676 8.2525 117.3761 56.5528 38.0348 177.3262 28 Q 3.8342 7.7661 118.7493 59.1083 28.9256 178.4484 29 M 3.9755 7.6013 121.2493 58.0446 31.7344 178.7830 30 M 4.0306 8.0262 119.0813 57.9751 32.0288 178.8428 31 K 4.0179 7.7489 121.1905 59.1051 32.6305 179.2205 32 S 4.1817 8.3234 114.7455 60.8893 62.5157 175.4374 33 R 4.3790 7.7792 119.6856 54.9140 30.4199 175.7886 34 N 4.2023 7.9577 114.5613 54.9778 36.6574 174.7868 35 L 4.6650 8.2941 115.5062 54.8571 42.7603 177.9808 36 T 5.3749 7.5397 106.6925 59.9967 69.1001 175.3392 37 K 4.0412 7.8554 122.5207 59.7144 32.6027 177.2634 38 D 4.5023 7.8429 120.2617 55.9920 41.9690 176.5730 39 R 3.9247 7.1788 113.1653 54.7473 32.2535 174.2822 40 C 4.7277 8.4494 116.2672 55.4824 40.4149 173.8244 41 K 4.1318 8.5371 127.1486 55.8961 32.1464 174.3919 42 P 4.5558 0.0000 0.0000 65.3633 32.1673 176.5952 43 V 5.0542 7.5929 116.2898 61.3947 34.6630 173.7962 44 N 4.8236 9.1066 124.1181 52.8943 42.6391 172.9707 45 T 4.8533 7.7228 118.6998 61.6435 72.6982 172.6965 46 F 4.8276 8.8741 124.2281 55.6439 42.1408 174.5832 47 V 4.5331 9.0646 123.4336 61.7414 33.2898 175.5569 48 H 5.5302 9.1103 123.4920 55.1596 29.9866 175.0600 49 E 4.2604 8.1253 118.7118 55.1662 30.6368 176.9185 50 S 4.3756 8.2870 114.8718 58.2818 65.0537 174.9041 51 L 4.0101 8.5486 124.1956 58.2687 41.8195 179.2126 52 A 3.9968 7.9656 120.2903 55.3596 18.2016 179.2024 53 D 4.3278 7.8619 116.1554 57.4230 41.1412 178.9633 54 V 3.7837 7.8587 118.7926 66.1481 31.4799 178.2199 55 Q 3.9457 8.6907 117.8811 58.6579 28.4984 178.4326 56 A 4.0396 7.9584 121.5377 54.3824 18.2979 179.6123 57 V 3.4379 7.5713 117.1640 65.9624 31.3003 176.9640 58 C 3.6863 7.5731 114.6576 58.1880 39.8828 174.2368 59 S 4.6472 7.4229 115.5207 58.2586 63.9285 174.4799 60 Q 4.0812 7.4031 121.1019 55.5814 30.3474 178.1393 61 K 4.2896 8.3342 133.0223 56.8992 32.8455 175.1731 62 N 4.3689 8.7925 127.5797 53.6570 39.6468 174.3044 63 V 4.5881 8.5561 118.2827 59.4209 36.8671 174.6410 64 A 4.3589 8.3980 124.5110 52.2739 19.2030 178.2425 65 C 4.7459 8.7926 118.6045 55.4485 41.6269 175.2328 66 K 3.7761 8.7924 123.0184 59.5309 31.7394 177.4223 67 N 4.5749 8.0524 113.3973 52.9026 37.4431 175.7054 68 G 3.9441 8.0466 108.6165 45.6360 0.0000 174.3008 69 Q 4.2590 8.5303 119.3572 56.1753 29.2999 176.2265 70 T 4.6091 8.2891 107.8110 61.6454 69.1563 174.1065 71 N 5.0324 8.0313 118.1349 53.7237 38.5154 174.3782 72 C 5.3523 7.4753 115.6444 56.7839 44.0799 172.7045 73 Y 5.2032 9.0103 118.8740 56.4082 42.1291 173.8924 74 Q 5.1367 9.2378 125.5102 54.1935 31.2288 174.8786 75 S 4.4532 8.6943 121.9264 58.6655 63.1729 174.2340 76 Y 4.5099 9.6272 122.1871 60.8747 37.9097 176.6573 77 S 5.0347 7.8584 113.8084 56.9808 65.0657 174.5174 78 T 4.1371 8.3048 112.0157 62.0345 69.7400 173.6022 79 M 5.0174 9.0160 122.3889 53.3363 36.7715 174.7888 80 S 4.8910 9.4621 117.2429 58.3850 63.6001 173.0928 81 I 5.1105 9.0425 120.5199 59.5281 41.9764 174.2750 82 T 5.0102 8.6829 117.7060 62.1394 72.6366 173.0711 83 D 4.9657 9.3564 127.6664 53.4757 42.6489 174.7867 84 C 5.4969 9.5778 122.0023 55.2427 43.9528 173.0592 85 R 5.2182 8.7117 123.7168 54.2985 33.2215 173.8400 86 E 4.1048 9.3132 128.5460 56.6013 30.3494 176.9448 87 T 4.2728 8.0714 116.8688 60.8668 70.1795 174.6108 88 G 3.7003 8.4981 109.7204 47.7289 0.0000 174.6829 89 S 4.5195 7.8202 111.7540 57.8489 63.6930 174.2204 90 S 4.1796 7.3312 115.5033 58.5276 62.6934 173.7028 91 K 4.5141 8.2644 125.5063 54.8830 35.8224 175.3469 92 Y 4.2596 8.6897 125.5001 57.1569 39.1706 174.4012 93 P 3.0043 0.0000 0.0000 63.9876 32.0071 176.9185 94 N 4.5769 7.4604 118.9335 52.1170 36.9880 171.6221 95 C 4.4678 8.3193 117.7410 56.3267 38.7916 172.8927 96 A 5.0925 8.7995 127.3267 50.4716 20.9547 175.0710 97 Y 5.1425 9.4769 118.9065 56.0811 42.3082 174.6720 98 K 4.6209 9.0349 123.2171 55.2681 34.4224 174.9825 99 T 4.7042 8.5855 123.9555 62.5902 70.3200 174.2920 100 T 4.5977 8.5696 121.9635 61.8490 72.0758 173.5823 101 Q 4.7035 8.8482 125.4672 56.0723 29.9610 175.1172 102 A 4.5227 8.4828 121.9945 51.4815 23.5998 175.3210 103 N 5.4080 8.7130 115.7924 51.7787 41.2105 174.0962 104 K 4.7195 8.8127 122.3669 54.8159 37.6720 175.6432 105 H 4.8453 9.2000 119.3791 55.8793 29.9465 174.8996 106 I 4.8683 8.5807 115.0558 59.2506 40.9092 174.4022 107 I 4.8841 8.5169 124.0777 59.7558 40.2395 175.0979 108 V 4.8136 8.6001 119.2368 59.3446 36.2749 174.3348 109 A 5.0138 8.8501 124.7464 51.0737 20.5680 175.6907 110 C 5.0807 8.7412 119.9156 55.2944 38.1251 172.9864 111 E 4.7067 8.8193 121.2073 56.7646 33.7112 175.8575 112 G 4.0182 8.9361 111.9969 44.8518 0.0000 171.6468 113 N 4.9415 8.3142 116.4203 50.5696 40.4136 172.2539 114 P 4.3428 0.0000 0.0000 62.8138 31.9365 176.0509 115 Y 5.2609 8.2690 121.4308 57.1283 38.2944 174.4944 116 V 4.4278 8.0631 119.1473 58.0676 36.6656 173.3051 117 P 4.4568 0.0000 0.0000 63.0840 31.0661 177.0169 118 V 4.4612 8.7805 115.0703 61.1414 33.9616 175.2114 119 H 5.0315 7.8493 119.5808 54.8500 33.5198 171.9433 120 F 4.7831 8.6970 127.8067 57.1089 39.1260 174.6678 121 D 4.5043 8.6908 127.5479 56.2604 41.8091 175.7682 122 A 4.3106 6.2942 118.9374 52.0233 21.5378 174.4071 123 S 5.0218 8.6315 113.0729 56.6446 65.7759 174.4388 124 V 3.9980 9.0355 122.7164 63.0683 31.5020 174.9007 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 1 K 8.31 4.19 0.00 1.72 1.83 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.51 7.81 2 E 8.58 3.83 0.00 2.13 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 2.40 2.38 0.00 3 T 8.81 4.22 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 1.23 0.00 0.00 4 A 8.58 4.02 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 5 A 8.00 4.13 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 6 A 8.09 4.02 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.28 4.11 0.00 1.88 2.06 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.32 7.81 8 F 8.45 4.12 0.00 3.26 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 9 E 8.35 3.99 0.00 2.32 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 2.51 2.69 0.00 10 R 7.97 3.87 0.00 1.80 2.08 0.00 3.36 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 11 Q 8.00 4.00 0.00 1.53 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.47 0.00 0.00 0.00 0.00 0.00 2.24 2.45 0.00 12 H 8.02 4.62 0.00 1.96 2.58 0.00 5.60 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.84 4.72 0.00 1.96 2.17 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 2.71 2.60 0.00 14 D 8.77 4.84 0.00 2.76 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 15 S 8.68 4.63 0.00 3.93 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 16 S 8.04 4.31 0.00 3.97 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 17 T 7.06 4.35 4.12 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 0.00 0.00 1.14 0.00 0.00 *22 S 8.59 4.22 0.00 3.92 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 23 S 8.76 4.33 0.00 4.05 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 24 N 7.95 4.74 0.00 2.80 2.83 0.00 0.00 6.64 8.90 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 25 Y 7.82 4.00 0.00 3.21 2.98 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 0.00 0.00 0.00 26 C 8.59 4.08 0.00 3.12 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 27 N 8.25 4.37 0.00 3.07 2.93 0.00 0.00 7.14 7.74 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 28 Q 7.77 3.83 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.56 0.00 29 M 7.60 3.98 0.00 0.84 1.28 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.42 0.00 30 M 8.03 4.03 0.00 1.77 1.85 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.34 0.00 31 K 7.75 4.02 0.00 1.79 1.97 0.00 1.58 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.32 7.81 32 S 8.32 4.18 0.00 3.98 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 33 R 7.78 4.38 0.00 1.91 2.12 0.00 3.62 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.01 0.00 34 N 7.96 4.20 0.00 2.90 2.90 0.00 0.00 6.75 7.82 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 35 L 8.29 4.67 0.00 1.77 1.63 0.82 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.54 5.37 4.43 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 1.41 0.00 0.00 37 K 7.86 4.04 0.00 1.77 1.82 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.52 7.81 38 D 7.84 4.50 0.00 2.62 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 39 R 7.18 3.92 0.00 1.76 1.75 0.00 2.91 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 40 C 8.45 4.73 0.00 3.06 3.11 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 0.00 0.00 0.00 41 K 8.54 4.13 0.00 1.90 1.81 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.61 1.42 7.81 42 P 0.00 4.56 0.00 2.14 2.12 0.00 3.62 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 43 V 7.59 5.05 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 0.98 0.00 0.00 44 N 9.11 4.82 0.00 2.64 2.29 0.00 0.00 6.81 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.72 4.85 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 1.00 0.00 0.00 46 F 8.87 4.83 0.00 3.00 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 47 V 9.06 4.53 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 1.05 0.00 0.00 1.00 0.00 0.00 48 H 9.11 5.53 0.00 3.16 3.43 0.00 5.67 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.13 4.26 0.00 2.01 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 2.28 0.00 50 S 8.29 4.38 0.00 4.07 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 51 L 8.55 4.01 0.00 1.83 1.74 1.02 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.97 4.00 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 53 D 7.86 4.33 0.00 2.84 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 54 V 7.86 3.78 2.30 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 1.24 0.00 0.00 1.10 0.00 0.00 55 Q 8.69 3.95 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 56 A 7.96 4.04 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 57 V 7.57 3.44 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 1.07 0.00 0.00 0.98 0.00 0.00 58 C 7.57 3.69 0.00 2.76 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 59 S 7.42 4.65 0.00 3.91 3.81 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 0.00 0.00 0.00 0.00 60 Q 7.40 4.08 0.00 1.58 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.96 0.00 0.00 0.00 0.00 0.00 1.65 2.12 0.00 61 K 8.33 4.29 0.00 2.10 1.86 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.51 7.81 62 N 8.79 4.37 0.00 2.76 2.65 0.00 0.00 7.00 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 63 V 8.56 4.59 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 0.72 0.00 0.00 0.84 0.00 0.00 64 A 8.40 4.36 1.19 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 0.00 0.00 0.00 65 C 8.79 4.75 0.00 3.07 2.98 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 0.00 0.00 0.00 66 K 8.79 3.78 0.00 1.73 1.85 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.38 7.81 67 N 8.05 4.57 0.00 2.83 2.88 0.00 0.00 6.25 7.00 0.00 0.00 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 8.05 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 69 Q 8.53 4.26 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 70 T 8.29 4.61 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 1.18 0.00 0.00 71 N 8.03 5.03 0.00 3.06 3.13 0.00 0.00 6.05 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 72 C 7.48 5.35 0.00 3.06 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 73 Y 9.01 5.20 0.00 2.74 2.79 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 0.00 0.00 0.00 74 Q 9.24 5.14 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.00 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 75 S 8.69 4.45 0.00 3.93 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 76 Y 9.63 4.51 0.00 2.99 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 77 S 7.86 5.03 0.00 3.81 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 78 T 8.30 4.14 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 1.03 0.00 0.00 79 M 9.02 5.02 0.00 1.94 2.00 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 2.54 2.48 0.00 80 S 9.46 4.89 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 81 I 9.04 5.11 1.94 0.00 0.00 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 1.41 0.69 0.98 0.00 0.00 82 T 8.68 5.01 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 1.30 0.00 0.00 83 D 9.36 4.97 0.00 2.59 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.58 5.50 0.00 2.89 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 85 R 8.71 5.22 0.00 1.87 1.78 0.00 3.14 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 86 E 9.31 4.10 0.00 1.86 1.75 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 2.13 1.94 0.00 87 T 8.07 4.27 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 1.20 0.00 0.00 88 G 8.50 3.70 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 0.00 0.00 0.00 89 S 7.82 4.52 0.00 3.97 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 90 S 7.33 4.18 0.00 3.85 3.68 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 0.00 0.00 0.00 0.00 91 K 8.26 4.51 0.00 1.93 1.65 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.37 7.81 92 Y 8.69 4.26 0.00 2.90 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 93 P 0.00 3.00 0.00 1.80 1.26 0.00 3.62 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 94 N 7.46 4.58 0.00 2.70 2.77 0.00 0.00 6.88 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 95 C 8.32 4.47 0.00 3.15 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 96 A 8.80 5.09 1.15 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 0.00 0.00 0.00 0.00 0.00 97 Y 9.48 5.14 0.00 2.90 2.87 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 98 K 9.03 4.62 0.00 1.87 1.72 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.44 7.81 99 T 8.59 4.70 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 1.29 0.00 0.00 100 T 8.57 4.60 4.28 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 1.23 0.00 0.00 101 Q 8.85 4.70 0.00 1.92 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 102 A 8.48 4.52 1.22 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 0.00 0.00 0.00 103 N 8.71 5.41 0.00 2.56 2.74 0.00 0.00 6.70 7.61 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 0.00 104 K 8.81 4.72 0.00 1.72 1.88 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.44 7.81 105 H 9.20 4.85 0.00 3.17 3.32 0.00 5.57 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.58 4.87 1.82 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.69 1.11 0.00 0.00 107 I 8.52 4.88 1.67 0.00 0.00 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 1.15 0.69 0.80 0.00 0.00 108 V 8.60 4.81 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 0.72 0.00 0.00 0.79 0.00 0.00 109 A 8.85 5.01 1.23 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 0.00 0.00 0.00 110 C 8.74 5.08 0.00 2.15 1.66 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 0.00 111 E 8.82 4.71 0.00 1.99 1.68 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 0.00 2.21 2.30 0.00 112 G 8.94 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 0.00 0.00 0.00 113 N 8.31 4.94 0.00 2.66 2.71 0.00 0.00 6.92 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 0.00 114 P 0.00 4.34 0.00 2.23 2.05 0.00 3.83 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 115 Y 8.27 5.26 0.00 2.82 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 0.00 116 V 8.06 4.43 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 0.65 0.00 0.00 0.89 0.00 0.00 117 P 0.00 4.46 0.00 0.49 1.03 0.00 3.34 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 118 V 8.78 4.46 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 0.58 0.00 0.00 0.94 0.00 0.00 119 H 7.85 5.03 0.00 3.20 3.10 0.00 5.65 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 0.00 120 F 8.70 4.78 0.00 2.74 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 0.00 121 D 8.69 4.50 0.00 2.63 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 0.00 122 A 6.29 4.31 1.19 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 0.00 0.00 0.00 123 S 8.63 5.02 0.00 4.06 4.10 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 0.00 124 V 9.04 4.00 2.10 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 1.05 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.