NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.3924 8.1233 123.5864 52.3348 20.8026 179.0831 10 N 4.1900 8.0870 113.1848 56.0720 38.3373 175.9553 11 S 4.0334 8.7959 117.5020 61.7236 63.3300 176.3505 12 T 3.8682 7.8185 117.9100 66.6203 68.3468 176.6839 13 V 3.2915 7.5515 119.7321 66.0785 31.5174 178.1550 14 L 3.8805 8.5235 119.3678 57.3912 40.9674 179.6025 15 S 3.9685 8.3345 113.6457 61.2988 61.9635 175.6615 16 F 4.3235 8.4010 123.5770 61.9418 38.9564 176.9830 17 C 3.4911 8.1525 115.7392 62.1967 27.6315 175.8282 18 A 3.6516 7.6211 123.0141 54.9098 17.8623 178.3702 19 F 4.6199 7.1520 110.7201 57.8076 39.3673 176.4366 20 A 4.1216 7.1385 124.7699 51.7351 18.6501 179.1213 21 V 3.3204 8.3830 114.4199 63.7634 31.9791 176.4736 22 D 4.6449 7.5921 117.5841 50.7186 42.8171 173.8401 23 P 4.3136 0.0000 0.0000 64.7210 31.5297 177.8082 24 A 3.9907 8.1132 118.8329 55.5669 18.1650 179.5605 25 K 3.9889 8.9934 117.8328 59.3016 32.1285 178.9178 26 A 4.1023 7.9321 121.4781 55.1547 18.1326 179.0330 27 Y 4.2528 8.2121 118.0518 60.7323 38.8959 177.6140 28 K 3.7397 8.2270 120.5662 59.8585 32.4001 178.0894 29 D 4.3768 8.5650 119.2020 57.6036 40.8366 178.0948 30 Y 4.1100 8.4054 120.0032 61.0753 38.7882 178.4968 31 L 3.7326 8.1345 119.6472 57.5707 41.4427 179.4014 32 A 4.2351 7.8175 119.7081 54.5434 18.3408 178.8239 33 S 4.3845 7.3941 111.3653 58.6002 63.1752 175.0711 34 G 3.7816 8.0930 111.0183 44.8603 0.0000 174.3268 35 G 2.5850 6.9123 108.0499 44.8730 0.0000 173.3112 36 Q 4.2290 8.2805 121.8530 54.1908 29.9293 174.2137 37 P 4.6583 0.0000 0.0000 62.6626 32.0404 176.0462 38 I 4.0107 8.7331 122.8180 61.6644 37.3452 176.2913 39 T 4.5129 8.6402 116.5482 60.8541 71.0179 173.7730 40 N 4.3574 8.7210 116.2306 54.8826 35.2969 174.6812 41 C 4.4811 8.0553 114.5019 59.4858 29.4537 173.3003 42 V 4.2809 9.0564 115.5787 60.3590 32.7013 175.2749 43 K 4.2658 8.6073 126.9319 55.4104 33.3186 175.4329 44 M 4.4943 8.8194 127.1429 54.0353 33.6576 175.6660 45 L 4.4257 8.3043 122.4984 53.5418 42.9661 175.8638 46 C 4.8448 8.4205 121.2510 58.1462 30.8182 174.0621 47 T 4.2735 8.3514 112.2017 62.3732 69.5099 174.3665 48 H 4.9556 7.6308 117.9480 53.7328 32.6784 173.0610 49 T 4.2609 8.4778 112.2046 61.6525 69.7296 174.8842 50 G 4.2736 8.7014 114.3869 44.4840 0.0000 173.3657 51 T 3.8593 8.8036 109.5151 63.0849 68.8776 175.6368 52 G 4.4371 8.3745 109.7119 45.6739 0.0000 173.4652 53 Q 4.1613 7.4985 117.2494 55.1753 29.2562 175.7468 54 A 4.0177 8.0278 124.3211 54.8801 18.4840 176.9454 55 I 5.1470 7.3861 113.8045 59.6907 40.4783 174.5523 56 T 4.8133 8.9280 115.5029 60.3747 72.3583 175.1179 57 V 4.1427 8.6199 114.4830 63.2424 32.0882 176.6400 58 T 4.7052 7.5494 107.9764 58.6847 71.6502 171.7166 59 P 4.0923 0.0000 0.0000 63.7996 31.6821 176.1045 60 E 4.6527 9.3980 121.1764 55.6598 31.2409 175.2377 61 A 4.4192 7.9715 122.9032 52.6811 19.1138 178.0526 62 N 4.9600 8.5860 121.1636 51.7534 39.9056 175.1368 63 M 4.0616 8.7530 116.0336 58.5312 32.2218 176.7032 64 D 4.8020 8.8770 116.8339 54.0691 42.0260 175.1085 65 Q 5.5887 7.7970 118.5235 53.3376 33.0329 173.8665 66 E 4.9276 8.5215 116.7556 55.2052 34.4307 174.8795 67 S 5.3529 8.3847 117.9874 56.9996 65.4650 173.2099 68 F 5.8874 8.8061 123.3583 54.5234 42.5567 175.1350 69 G 3.5033 9.0864 109.0293 46.8759 0.0000 173.9601 70 G 3.7608 9.4781 113.1478 48.7012 0.0000 175.0831 71 A 3.9211 8.1996 121.1921 54.5990 18.7896 179.7182 72 S 4.1044 7.3950 108.7320 61.1930 62.4180 174.9353 73 C 4.2877 8.7015 117.4164 60.8205 29.3661 172.5279 74 C 4.4478 7.9396 119.8241 56.5682 42.8360 173.5439 75 L 3.5168 8.4544 130.5360 58.5737 41.5385 178.4536 76 Y 3.8449 7.3648 115.8813 61.1519 37.9691 178.9231 77 C 4.3710 8.2182 117.0146 60.1132 40.1653 176.2422 78 R 3.6688 7.8766 118.8307 58.8776 29.7137 177.9907 79 C 4.1455 7.9091 114.0654 59.0006 28.7599 173.0312 80 H 4.0779 7.7329 116.8470 56.9828 26.2359 173.9785 81 I 4.6531 7.5321 110.2838 58.4986 40.6626 174.2564 82 D 4.6351 8.4745 120.5446 54.8251 41.2611 175.4710 83 H 4.3612 8.2800 117.1526 53.1945 30.7705 172.2003 84 P 3.8932 0.0000 0.0000 61.8349 31.6035 182.0403 85 N 3.1532 7.7781 113.8449 53.3070 40.8412 174.7376 *89 F 4.6046 8.1361 122.4628 57.6455 41.1786 174.2073 90 C 3.6990 8.1786 121.8183 59.7934 27.1339 174.1332 91 D 4.6249 8.7241 122.7125 53.7066 39.1337 176.7213 92 L 4.5203 7.9361 121.5716 56.0665 43.7509 176.9822 93 K 3.8514 7.9194 117.8320 58.1739 32.1460 176.7067 94 G 3.7942 8.7776 112.6024 45.6132 0.0000 172.3345 95 K 4.5439 7.9226 119.3232 54.4730 36.3179 174.0446 96 Y 5.1062 8.9601 117.7623 56.5887 41.2857 175.2849 97 V 4.8663 8.9307 124.1070 61.7397 33.5704 174.3721 98 Q 5.1674 9.5395 127.8278 54.8710 30.1624 175.2209 99 I 4.0659 8.8180 124.5149 58.3139 41.0145 173.6677 100 P 4.5751 0.0000 0.0000 62.7663 32.1077 177.6327 101 T 3.8947 9.3107 119.9874 66.9532 68.5000 176.6954 102 T 4.0497 7.9177 109.6577 63.7917 69.0350 174.2480 103 C 4.7101 7.9335 118.3145 59.3048 29.2838 174.9912 104 A 4.1320 7.8604 121.8225 53.3134 17.6845 178.4512 105 N 4.5971 7.8688 113.3881 54.4096 38.8016 175.2601 106 D 4.7416 8.0170 118.6552 51.0423 42.0436 173.1494 107 P 3.9562 0.0000 0.0000 65.6797 31.6683 178.0156 108 V 3.8011 7.1821 117.5389 65.5494 31.3453 177.9199 109 G 4.4994 8.4550 105.9240 47.2793 0.0000 174.8132 110 F 3.7643 8.3278 123.0449 61.4055 39.2134 177.3361 111 T 3.7156 7.6589 107.8426 64.7748 68.4314 175.9102 112 L 4.1907 7.4814 121.3375 57.2844 41.7545 178.5930 113 R 4.3884 7.4626 114.8035 55.3079 30.4429 175.4133 114 N 5.1115 7.0581 114.9373 51.5394 42.6176 173.4445 115 T 4.8452 8.3851 115.0322 61.8619 71.8404 173.7626 116 V 3.8278 8.4175 126.3212 62.3471 32.7471 174.9561 117 C 4.4210 8.7787 129.0515 59.3482 31.8631 174.7098 118 T 3.8812 8.6715 116.6045 64.4443 68.9090 176.0539 119 V 3.7309 7.8073 121.5195 65.3731 31.7816 176.3653 120 C 4.3701 7.9880 111.9161 57.4990 30.7753 173.7812 121 G 3.7554 8.2392 109.1248 46.8613 0.0000 172.9281 122 M 4.8073 7.5212 116.9610 52.0301 35.8309 175.2557 123 W 4.7905 8.4625 120.3448 56.8617 29.5596 175.8090 124 K 4.2079 9.2934 126.2128 58.3759 31.7906 176.3142 125 G 4.0241 9.7512 114.9797 45.6278 0.0000 172.9341 126 Y 4.6058 8.2386 116.4332 56.3675 38.7357 174.8171 127 G 4.0032 9.0087 109.7665 45.3824 0.0000 170.2987 128 C 4.5357 7.9184 118.2927 58.5054 33.1591 173.6913 129 S 4.0906 8.6533 119.9035 59.2477 62.6090 172.2887 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 9 A 8.12 4.39 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 10 N 8.09 4.19 0.00 2.81 2.85 0.00 0.00 7.07 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 11 S 8.80 4.03 0.00 3.87 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 12 T 7.82 3.87 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 1.23 0.00 0.00 13 V 7.55 3.29 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 0.38 0.00 0.00 0.88 0.00 0.00 14 L 8.52 3.88 0.00 1.67 1.56 0.84 0.10 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 15 S 8.33 3.97 0.00 4.11 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.40 4.32 0.00 3.13 3.26 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 17 C 8.15 3.49 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 18 A 7.62 3.65 0.69 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 0.00 0.00 19 F 7.15 4.62 0.00 3.05 3.05 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 20 A 7.14 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.38 3.32 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 0.71 0.00 0.00 0.94 0.00 0.00 22 D 7.59 4.64 0.00 2.48 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 23 P 0.00 4.31 0.00 2.02 1.94 0.00 4.06 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.05 0.00 24 A 8.11 3.99 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 25 K 8.99 3.99 0.00 1.83 1.84 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.67 1.49 7.81 26 A 7.93 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.21 4.25 0.00 3.00 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 28 K 8.23 3.74 0.00 1.90 2.02 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.49 7.81 29 D 8.57 4.38 0.00 3.09 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 30 Y 8.41 4.11 0.00 3.28 3.23 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 31 L 8.13 3.73 0.00 1.60 1.48 0.36 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.82 4.24 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 33 S 7.39 4.38 0.00 3.87 3.78 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 34 G 8.09 3.78 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 0.00 0.00 0.00 35 G 6.91 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 0.00 0.00 0.00 36 Q 8.28 4.23 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 37 P 0.00 4.66 0.00 2.23 2.27 0.00 3.77 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 2.05 2.14 0.00 38 I 8.73 4.01 1.76 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.52 0.81 0.00 0.00 39 T 8.64 4.51 4.27 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 1.28 0.00 0.00 40 N 8.72 4.36 0.00 2.92 3.03 0.00 0.00 6.85 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 41 C 8.06 4.48 0.00 3.03 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 42 V 9.06 4.28 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 1.05 0.00 0.00 43 K 8.61 4.27 0.00 1.60 1.54 0.00 1.65 0.00 0.00 1.57 0.00 0.00 3.09 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.02 0.60 7.81 44 M 8.82 4.49 0.00 1.77 1.91 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.87 0.00 45 L 8.30 4.43 0.00 1.55 1.55 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 46 C 8.42 4.84 0.00 2.86 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 T 8.35 4.27 4.11 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 1.16 0.00 0.00 48 H 7.63 4.96 0.00 3.09 3.17 0.00 5.70 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.48 4.26 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 1.18 0.00 0.00 50 G 8.70 4.27 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 0.00 51 T 8.80 3.86 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 1.21 0.00 0.00 52 G 8.37 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.50 4.16 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 54 A 8.03 4.02 -0.03 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 55 I 7.39 5.15 1.83 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.60 0.95 0.00 0.00 56 T 8.93 4.81 4.34 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 1.23 0.00 0.00 57 V 8.62 4.14 2.15 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 0.78 0.00 0.00 0.97 0.00 0.00 58 T 7.55 4.71 4.15 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 1.25 0.00 0.00 59 P 0.00 4.09 0.00 1.81 1.82 0.00 3.22 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.76 0.00 60 E 9.40 4.65 0.00 1.97 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 2.52 2.38 0.00 61 A 7.97 4.42 1.26 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 62 N 8.59 4.96 0.00 2.97 3.15 0.00 0.00 6.27 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 63 M 8.75 4.06 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.58 0.00 64 D 8.88 4.80 0.00 2.72 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 65 Q 7.80 5.59 0.00 1.95 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 66 E 8.52 4.93 0.00 1.91 1.47 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 2.28 2.28 0.00 67 S 8.38 5.35 0.00 3.67 3.78 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 68 F 8.81 5.89 0.00 3.01 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 69 G 9.09 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 70 G 9.48 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 0.00 0.00 0.00 71 A 8.20 3.92 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 72 S 7.39 4.10 0.00 3.83 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 0.00 73 C 8.70 4.29 0.00 3.06 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 74 C 7.94 4.45 0.00 3.10 3.14 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 0.00 0.00 0.00 0.00 75 L 8.45 3.52 0.00 1.38 1.06 0.46 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 7.36 3.84 0.00 2.98 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 77 C 8.22 4.37 0.00 3.08 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 78 R 7.88 3.67 0.00 1.82 1.80 0.00 3.20 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 79 C 7.91 4.15 0.00 2.77 2.73 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 0.00 0.00 0.00 80 H 7.73 4.08 0.00 3.30 3.34 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.53 4.65 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.76 0.81 0.00 0.00 82 D 8.47 4.64 0.00 2.68 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 83 H 8.28 4.36 0.00 3.01 2.98 0.00 5.89 0.00 0.00 0.00 0.00 6.72 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 3.89 0.00 2.06 1.76 0.00 2.88 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.43 0.00 85 N 7.78 3.15 0.00 2.75 3.00 0.00 0.00 6.84 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 *89 F 8.14 4.60 0.00 2.96 2.82 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 90 C 8.18 3.70 0.00 2.95 3.10 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 91 D 8.72 4.62 0.00 2.80 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 92 L 7.94 4.52 0.00 1.75 1.63 1.02 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 93 K 7.92 3.85 0.00 1.66 1.80 0.00 1.69 0.00 0.00 1.50 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.40 7.81 94 G 8.78 3.79 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 0.00 0.00 0.00 95 K 7.92 4.54 0.00 1.79 1.86 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.34 7.81 96 Y 8.96 5.11 0.00 2.95 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 97 V 8.93 4.87 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 1.43 0.00 0.00 1.08 0.00 0.00 98 Q 9.54 5.17 0.00 2.25 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.36 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 99 I 8.82 4.07 1.87 0.00 0.00 0.48 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 0.73 0.20 0.00 0.00 100 P 0.00 4.58 0.00 1.89 1.96 0.00 2.20 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.91 0.00 101 T 9.31 3.89 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 1.22 0.00 0.00 102 T 7.92 4.05 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 1.25 0.00 0.00 103 C 7.93 4.71 0.00 2.60 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 0.00 104 A 7.86 4.13 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 0.00 105 N 7.87 4.60 0.00 2.83 2.96 0.00 0.00 5.82 8.06 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 0.00 106 D 8.02 4.74 0.00 2.76 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 P 0.00 3.96 0.00 1.70 1.20 0.00 3.45 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.33 0.00 108 V 7.18 3.80 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 0.87 0.00 0.00 0.79 0.00 0.00 109 G 8.45 4.50 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 0.00 110 F 8.33 3.76 0.00 3.05 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 0.00 111 T 7.66 3.72 4.48 0.00 0.00 0.00 0.00 0.00 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 0.00 112 L 7.48 4.19 0.00 1.86 1.81 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 113 R 7.46 4.39 0.00 1.58 1.83 0.00 3.06 0.00 0.00 3.19 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 114 N 7.06 5.11 0.00 1.77 2.62 0.00 0.00 6.69 7.42 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 0.00 115 T 8.39 4.85 4.36 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 1.27 0.00 0.00 116 V 8.42 3.83 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 0.46 0.00 0.00 0.18 0.00 0.00 117 C 8.78 4.42 0.00 3.12 2.82 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 0.00 118 T 8.67 3.88 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 0.00 119 V 7.81 3.73 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 0.84 0.00 0.00 0.93 0.00 0.00 120 C 7.99 4.37 0.00 3.11 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 0.00 121 G 8.24 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 0.00 0.00 0.00 122 M 7.52 4.81 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.63 0.00 123 W 8.46 4.79 0.00 3.88 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.29 4.21 0.00 2.02 1.87 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.50 7.81 125 G 9.75 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 0.00 126 Y 8.24 4.61 0.00 3.07 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 0.00 127 G 9.01 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 0.00 0.00 0.00 128 C 7.92 4.54 0.00 3.20 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 0.00 129 S 8.65 4.09 0.00 4.06 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 * Residues marked with a * may have inaccurate shift predictions.