NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 Q 4.2793 8.3444 121.7130 56.0204 30.2983 173.3112 6 D 4.8164 8.4169 117.0173 51.5288 43.7338 174.0113 7 C 4.9646 8.3017 124.9047 53.6493 45.1854 171.0860 8 P 4.5243 0.0000 0.0000 62.5081 31.7705 175.1839 9 E 4.2568 9.0073 124.0994 56.8164 30.8578 176.2481 10 C 4.9772 8.7790 126.2061 57.1182 44.3419 172.4293 11 T 4.5294 8.8316 115.3520 60.7051 72.2509 172.5714 12 L 4.6694 8.5250 121.9849 55.0981 42.4050 176.7578 13 Q 4.6739 9.1163 120.6087 53.9173 33.6188 174.1824 14 E 4.3443 8.6851 122.5196 55.5404 30.3116 175.8138 15 N 4.6713 9.5611 128.3488 52.4415 39.3490 173.6506 16 P 4.2998 0.0000 0.0000 63.7265 31.2637 176.7426 17 F 4.5789 8.1836 116.5710 57.3504 40.4741 175.7625 18 F 5.1234 8.0438 116.5638 57.0542 40.5596 175.1342 19 S 4.7044 7.8099 118.3537 57.6929 63.6062 173.5958 20 Q 4.7535 8.7108 124.2010 52.9144 31.3344 173.4745 21 P 4.3769 0.0000 0.0000 64.5133 31.7241 177.0554 22 G 3.9929 9.7645 110.4138 45.5760 0.0000 173.7101 23 A 4.5299 8.0958 122.3974 50.1412 19.6866 172.7935 24 P 4.6777 0.0000 0.0000 62.3004 32.7788 176.1229 25 I 4.5576 9.4076 124.2965 59.9199 38.8658 174.7466 26 L 5.0160 9.8778 129.0994 53.7933 43.6351 175.7531 27 Q 4.7589 9.3591 124.3846 54.1374 32.2196 173.5912 28 C 4.9955 9.4334 124.4317 57.6978 39.8689 173.0820 29 M 4.9042 9.4160 123.2955 53.1330 36.5386 175.7651 30 G 3.8148 7.4337 107.2900 45.8145 0.0000 171.5515 31 C 5.1506 8.5547 116.9678 55.4495 42.9869 172.9576 32 C 5.1607 8.6181 118.3966 55.1557 40.5014 172.5938 33 F 4.9796 8.4353 120.7032 57.4596 40.5275 174.7063 34 S 4.6377 7.1920 118.6912 56.6632 66.0827 173.2028 35 R 4.6456 9.0998 117.6858 54.3941 33.0875 173.8024 36 A 4.9565 8.4189 121.4632 50.4354 21.9851 174.7556 37 Y 4.9243 7.9270 119.1680 54.6658 42.3132 172.5693 38 P 4.7276 0.0000 0.0000 62.7242 31.9673 176.4503 39 T 4.1146 8.5842 120.4227 61.6025 67.8774 172.2848 40 P 4.3890 0.0000 0.0000 62.6066 32.4320 176.9077 41 L 3.9445 8.6729 122.7783 58.2722 41.6628 179.1226 42 R 3.8428 8.0190 117.2729 59.7788 30.1358 177.6250 43 S 4.2589 8.1205 111.9156 61.6118 62.1681 176.1665 44 K 3.9623 7.9260 119.5961 59.0833 31.8493 178.5132 45 K 4.3244 7.8654 116.2785 57.0890 32.3466 177.2473 46 T 4.4417 7.7668 109.0364 62.3608 70.5918 175.1300 47 M 4.3004 7.8017 120.6730 54.9175 32.9320 175.8629 48 L 4.0724 8.5436 124.1870 57.2181 42.7554 176.9944 49 V 4.1339 7.4627 118.7306 61.0184 31.8730 175.2793 50 Q 4.2238 8.4916 126.9165 55.8445 29.2903 176.0324 51 K 4.6225 8.2413 120.4025 54.5133 35.9566 176.3791 52 N 4.5499 8.9219 121.3376 54.8900 38.5211 174.8124 53 V 4.8117 7.7563 117.9752 61.1403 34.5313 174.8204 54 T 4.4282 8.9472 123.7027 61.8044 70.6891 173.0574 55 S 4.8308 8.4473 121.4108 56.5239 64.3570 172.7139 56 E 4.7758 9.0738 127.1038 54.6789 31.9803 175.6694 57 S 4.8554 8.5938 117.5049 57.4148 66.1543 172.6098 58 T 4.7777 7.9361 108.3906 60.8654 71.2159 173.7134 59 C 5.0945 9.8510 120.9292 54.8853 44.7745 172.6465 60 C 4.9679 8.8200 121.4162 56.8845 40.7569 172.9548 61 V 4.7561 8.9666 126.0695 59.5170 33.8144 174.6659 62 A 4.5427 8.3996 124.2634 51.6796 18.6787 178.4100 63 K 4.1069 9.1653 125.9789 59.2971 33.1558 177.3440 64 S 4.7764 7.6429 110.8182 57.4720 66.4597 173.7142 65 Y 5.9409 7.7655 119.6674 55.2863 41.9646 173.6587 66 N 4.9187 8.6810 115.3813 51.1500 42.0965 174.5128 67 R 4.5298 8.8147 123.7702 56.5865 30.9454 176.7148 68 V 4.4516 8.9537 123.7086 62.0511 35.3697 173.5208 69 T 5.0136 8.6083 124.4076 63.2107 70.3586 173.9286 70 V 4.3196 8.8001 122.3197 61.2112 34.5659 173.0124 71 M 3.1744 9.5378 119.3184 56.5372 30.7955 178.6668 72 G 3.6289 8.8028 110.4721 46.0623 0.0000 174.3898 73 G 3.2166 8.7948 109.4092 45.2899 0.0000 175.8557 74 F 3.9206 5.9756 123.2932 54.5254 35.4621 174.4031 75 K 4.7421 8.5693 123.5739 55.0076 32.6003 176.2009 76 V 4.5677 8.7022 125.3281 59.7170 35.3360 173.9292 77 E 5.1708 8.4076 116.6163 54.8192 32.8958 174.8043 78 N 4.7888 9.3393 121.2595 52.1682 40.4041 173.6037 79 H 4.9714 9.1159 125.7154 56.5821 28.5469 175.7740 80 T 4.5139 9.1464 114.2718 62.5840 70.3331 174.8603 81 A 4.6522 7.7290 121.9033 51.1330 22.4904 175.8946 82 C 5.5316 8.3214 117.8100 55.5080 42.9505 172.4751 83 H 4.5702 8.4618 113.9205 55.5999 31.9004 172.8755 84 C 5.0062 8.9101 117.4486 56.5852 38.9413 172.5894 85 S 4.2820 8.7195 120.3052 57.1643 65.7175 172.7959 86 T 3.6048 8.4666 114.7276 64.8539 68.3121 174.7812 87 C 4.3144 8.4530 121.2380 57.5582 40.9887 174.3461 88 Y 3.6515 7.3148 115.0889 59.3098 36.7288 172.1572 *89 Y 4.2326 8.4523 119.8054 57.7092 37.8303 173.3195 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 5 Q 8.34 4.28 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.67 0.00 0.00 0.00 0.00 0.00 2.24 2.42 0.00 6 D 8.42 4.82 0.00 2.70 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 7 C 8.30 4.96 0.00 2.96 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 8 P 0.00 4.52 0.00 2.17 2.18 0.00 3.78 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 2.08 1.98 0.00 9 E 9.01 4.26 0.00 2.09 1.89 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 2.40 2.35 0.00 10 C 8.78 4.98 0.00 3.20 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 11 T 8.83 4.53 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 12 L 8.52 4.67 0.00 1.58 1.68 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 9.12 4.67 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.97 0.00 0.00 0.00 0.00 0.00 2.54 2.44 0.00 14 E 8.69 4.34 0.00 1.95 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 15 N 9.56 4.67 0.00 2.87 2.93 0.00 0.00 6.55 7.76 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 16 P 0.00 4.30 0.00 1.43 1.84 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.73 0.00 17 F 8.18 4.58 0.00 2.53 2.68 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 18 F 8.04 5.12 0.00 3.04 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 19 S 7.81 4.70 0.00 3.84 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 20 Q 8.71 4.75 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.92 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 21 P 0.00 4.38 0.00 2.04 2.01 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 22 G 9.76 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 0.00 0.00 0.00 23 A 8.10 4.53 1.24 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 0.00 0.00 24 P 0.00 4.68 0.00 2.07 2.47 0.00 3.68 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 2.10 0.00 25 I 9.41 4.56 2.02 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 1.41 1.11 0.98 0.00 0.00 26 L 9.88 5.02 0.00 1.76 1.62 0.95 -0.40 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 27 Q 9.36 4.76 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.98 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 28 C 9.43 5.00 0.00 2.90 3.06 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 29 M 9.42 4.90 0.00 1.93 1.91 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.53 0.00 30 G 7.43 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 0.00 0.00 0.00 31 C 8.55 5.15 0.00 2.85 2.99 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 32 C 8.62 5.16 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.44 4.98 0.00 3.20 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 34 S 7.19 4.64 0.00 3.72 3.56 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 35 R 9.10 4.65 0.00 1.90 1.99 0.00 3.02 0.00 0.00 3.66 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.88 0.00 36 A 8.42 4.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 7.93 4.92 0.00 3.02 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 38 P 0.00 4.73 0.00 2.03 2.09 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 39 T 8.58 4.11 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 1.27 0.00 0.00 40 P 0.00 4.39 0.00 2.25 1.97 0.00 3.86 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.05 0.00 41 L 8.67 3.94 0.00 1.71 1.68 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.02 3.84 0.00 1.84 1.98 0.00 3.32 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 43 S 8.12 4.26 0.00 4.00 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 44 K 7.93 3.96 0.00 1.99 2.01 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.73 7.81 45 K 7.87 4.32 0.00 1.91 1.85 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.59 7.81 46 T 7.77 4.44 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 1.26 0.00 0.00 47 M 7.80 4.30 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.53 0.00 48 L 8.54 4.07 0.00 1.60 1.68 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.46 4.13 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 0.87 0.00 0.00 0.93 0.00 0.00 50 Q 8.49 4.22 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.47 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 51 K 8.24 4.62 0.00 1.66 1.64 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.16 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.50 7.81 52 N 8.92 4.55 0.00 2.77 3.08 0.00 0.00 5.69 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 53 V 7.76 4.81 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 0.75 0.00 0.00 0.91 0.00 0.00 54 T 8.95 4.43 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 1.04 0.00 0.00 55 S 8.45 4.83 0.00 3.72 3.62 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 56 E 9.07 4.78 0.00 1.88 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 57 S 8.59 4.86 0.00 3.82 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 58 T 7.94 4.78 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 1.22 0.00 0.00 59 C 9.85 5.09 0.00 2.64 2.96 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 60 C 8.82 4.97 0.00 3.13 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 61 V 8.97 4.76 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 0.78 0.00 0.00 0.98 0.00 0.00 62 A 8.40 4.54 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 63 K 9.17 4.11 0.00 1.29 1.79 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.37 7.81 64 S 7.64 4.78 0.00 3.81 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 65 Y 7.77 5.94 0.00 3.12 3.06 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 66 N 8.68 4.92 0.00 2.65 2.74 0.00 0.00 6.81 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 67 R 8.81 4.53 0.00 1.76 1.95 0.00 3.28 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.94 0.00 68 V 8.95 4.45 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 0.99 0.00 0.00 0.98 0.00 0.00 69 T 8.61 5.01 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 1.29 0.00 0.00 70 V 8.80 4.32 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 0.72 0.00 0.00 0.99 0.00 0.00 71 M 9.54 3.17 0.00 2.34 2.43 0.00 0.00 0.00 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.70 0.00 72 G 8.80 3.63 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 0.00 0.00 0.00 73 G 8.79 3.22 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 0.00 74 F 5.98 3.92 0.00 3.30 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 75 K 8.57 4.74 0.00 1.65 1.77 0.00 1.74 0.00 0.00 0.61 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.27 7.81 76 V 8.70 4.57 1.62 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 0.89 0.00 0.00 0.22 0.00 0.00 77 E 8.41 5.17 0.00 2.14 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 2.03 2.16 0.00 78 N 9.34 4.79 0.00 2.77 2.80 0.00 0.00 7.29 7.75 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 79 H 9.12 4.97 0.00 3.15 3.29 0.00 5.71 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 T 9.15 4.51 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 1.33 0.00 0.00 81 A 7.73 4.65 1.21 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 0.00 0.00 0.00 82 C 8.32 5.53 0.00 2.87 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 83 H 8.46 4.57 0.00 3.19 3.32 0.00 5.27 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 C 8.91 5.01 0.00 2.88 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 85 S 8.72 4.28 0.00 3.35 3.55 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 86 T 8.47 3.60 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 0.14 0.00 0.00 87 C 8.45 4.31 0.00 2.88 3.09 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 88 Y 7.31 3.65 0.00 3.03 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 *89 Y 8.45 4.23 0.00 2.45 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.