NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.4288 8.1685 120.0896 56.3118 34.2229 174.1326 6 A 4.7969 8.5575 124.5653 50.3729 20.3479 171.6389 7 V 4.2933 9.7647 122.8235 61.2056 34.9123 173.2453 8 I 4.4391 8.5241 129.9186 60.4011 36.4921 175.7305 9 K 4.3101 8.7791 129.6020 59.1054 33.1215 176.8932 10 N 5.2088 8.5912 118.0825 52.4507 42.5574 173.2766 11 A 5.3441 8.6624 126.3314 50.9686 23.0332 175.8276 12 D 4.9682 9.0809 116.7169 52.9372 42.2756 173.7179 13 M 4.9612 7.7161 116.9350 52.5400 34.5035 176.0995 14 S 4.2894 8.4075 114.8115 58.6514 64.9727 175.0942 15 E 4.0435 8.7778 122.8361 59.6423 29.3243 179.4933 16 E 3.9454 8.1496 118.0703 59.7583 29.5860 179.0058 17 M 4.1037 7.8517 117.5826 58.8028 32.2103 178.1288 18 Q 3.8587 8.5570 118.5756 58.9712 28.7552 178.9035 19 Q 3.9127 8.0309 120.6572 59.0489 29.0392 177.6461 20 D 4.4131 7.9565 119.3081 57.3779 40.8832 178.3201 21 A 4.0202 8.2637 121.2201 55.3079 18.3257 179.5719 22 V 3.5227 7.2003 115.6621 66.4318 31.6552 178.0808 23 D 4.4181 8.5177 118.7708 57.5425 40.6624 178.4068 24 C 4.3352 9.0167 119.6388 62.3959 31.5573 175.4023 25 A 4.1098 8.7956 122.7584 55.4916 18.0132 179.5860 26 T 3.8231 8.0964 114.1061 67.0587 68.3289 176.6732 27 Q 3.9242 8.0695 119.3557 58.8611 28.7149 178.6749 28 A 3.3371 7.8853 121.5885 55.2803 18.1676 179.7301 29 L 3.9530 7.7906 115.9738 57.6792 41.8329 178.9485 30 E 4.1813 7.9626 114.5368 57.1902 29.9021 176.8946 31 K 4.1740 7.3460 119.2897 56.3734 34.2744 175.1691 32 Y 4.8737 7.8481 114.3845 56.4635 41.8751 174.3251 33 N 4.8476 8.7578 118.3507 54.4854 41.3089 176.0601 34 I 3.8798 7.6373 119.4295 61.0220 38.0878 176.2226 35 E 3.9718 9.1961 125.6817 59.6699 29.2701 179.7952 36 K 3.9670 8.0248 117.8861 60.1158 32.5293 178.6099 37 D 4.1340 7.9994 119.4493 56.6090 40.5386 178.8410 38 I 3.7485 7.4971 120.0491 64.1079 37.3173 177.6202 39 A 3.9379 7.9686 121.3692 55.2763 18.1038 179.1506 40 A 3.8809 8.0963 119.1990 55.6552 18.4544 178.9983 41 Y 3.9326 7.9040 117.5048 61.1423 38.9157 178.1358 42 I 3.7242 8.2487 120.7693 64.5581 37.1942 177.9958 43 K 3.7930 8.4860 120.3651 59.7352 31.9629 178.9300 44 K 3.9338 8.3054 118.7246 59.6071 31.9108 179.2008 45 E 3.8768 7.9189 118.6268 59.4016 29.2574 179.4704 46 F 3.6986 8.2464 117.7600 60.2393 38.6742 177.6699 47 D 4.8698 8.3046 118.0966 56.8336 40.6144 178.3632 48 K 4.0962 7.7630 119.6232 59.0301 32.5556 178.3231 49 K 3.9835 7.9782 117.5658 57.7404 32.1376 176.6138 50 Y 4.7202 7.4515 114.4081 57.4963 39.7817 173.2259 51 N 4.6109 8.5206 119.8422 51.9548 38.2114 172.5135 52 P 4.8529 0.0000 0.0000 63.0120 32.3431 175.9359 53 T 4.7072 7.9779 115.7562 61.8468 71.2547 173.6663 54 W 5.0661 9.2844 126.5714 55.5175 31.9513 175.4687 55 H 4.8818 9.0777 117.9335 54.3433 32.4811 172.2878 56 C 5.4320 8.7323 121.8609 57.7035 34.9110 173.0723 57 I 4.4871 8.8560 125.2253 59.5738 40.6579 174.2212 58 V 4.7819 8.1106 127.1051 61.2600 33.5976 174.5892 59 G 4.7830 8.9197 113.6104 46.7090 0.0000 173.4844 60 R 4.6243 8.8879 116.7343 56.0003 31.4630 176.4738 61 N 4.6690 7.6496 116.8098 53.4545 39.8058 172.9572 62 F 4.7054 7.5290 118.9704 56.4526 39.6863 173.3517 63 G 4.2569 8.7821 110.4654 44.0098 0.0000 172.1976 64 S 4.6685 8.0855 112.7238 57.0537 65.7561 173.5694 65 Y 4.4839 8.3369 121.8675 56.2936 40.0415 174.3293 66 V 4.3975 7.5935 119.0052 59.6735 35.7985 175.0371 67 T 4.4934 8.1721 117.0524 61.9879 70.8293 173.4971 68 H 5.4083 8.1524 120.0183 53.5663 32.2714 172.8938 69 E 4.1506 8.9201 119.6003 56.3028 30.4177 176.5157 70 T 4.0421 8.5684 117.9969 63.7914 67.8608 173.9365 71 R 4.3244 9.3031 123.8689 56.9447 29.2924 176.3462 72 H 5.2861 8.2848 113.8928 54.0805 28.5645 172.9702 73 F 5.3593 7.9333 120.6143 56.8469 43.5948 173.6627 74 I 4.7775 7.9610 125.1814 59.7811 42.2257 173.1538 75 Y 5.1623 9.2230 129.8701 56.1049 41.2647 173.4560 76 F 5.2479 8.8947 121.2030 54.9910 42.1760 173.2088 77 Y 4.7532 9.0932 116.7153 56.1494 40.7441 175.1333 78 L 4.6713 8.9624 125.5727 52.6868 43.6908 176.9722 79 G 3.9985 8.6447 121.1925 47.3384 0.0000 174.6852 *80 Q 4.2629 8.6557 122.2183 55.1367 28.8769 174.2876 81 V 4.1001 7.5721 118.2568 63.2027 32.5855 175.0479 82 A 4.3681 9.1250 130.7159 51.3139 20.6838 176.1235 83 I 4.7049 7.9880 121.2043 59.4450 41.2175 174.0421 84 L 5.2416 9.2091 130.2794 53.2050 44.4562 174.8220 85 L 5.4276 9.0155 128.5424 53.4038 45.2035 175.0423 86 F 5.7005 9.2979 120.3440 55.5328 42.2396 172.8960 87 K 4.3774 8.3145 121.0955 54.7044 34.1926 175.1259 88 S 4.5174 9.0244 119.2243 58.8588 66.0573 175.2602 89 G 4.0120 8.5116 115.0462 45.8118 0.0000 172.7660 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 K 8.17 4.43 0.00 1.72 1.82 0.00 1.66 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.42 7.81 6 A 8.56 4.80 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.76 4.29 2.22 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 1.05 0.00 0.00 0.97 0.00 0.00 8 I 8.52 4.44 1.91 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 0.94 0.00 0.00 9 K 8.78 4.31 0.00 2.07 2.13 0.00 1.83 0.00 0.00 1.82 0.00 0.00 3.10 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.81 1.75 7.81 10 N 8.59 5.21 0.00 3.11 2.98 0.00 0.00 6.88 7.15 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 11 A 8.66 5.34 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 12 D 9.08 4.97 0.00 2.84 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 13 M 7.72 4.96 0.00 2.26 2.01 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 14 S 8.41 4.29 0.00 4.09 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 15 E 8.78 4.04 0.00 2.00 2.05 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 2.41 2.36 0.00 16 E 8.15 3.95 0.00 2.02 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 2.42 2.35 0.00 17 M 7.85 4.10 0.00 2.01 1.97 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 1.61 1.96 0.00 18 Q 8.56 3.86 0.00 2.27 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.60 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 19 Q 8.03 3.91 0.00 2.29 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 20 D 7.96 4.41 0.00 3.01 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 21 A 8.26 4.02 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 22 V 7.20 3.52 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 1.06 0.00 0.00 0.57 0.00 0.00 23 D 8.52 4.42 0.00 2.87 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 24 C 9.02 4.34 0.00 3.32 3.29 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 25 A 8.80 4.11 1.61 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 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.10 3.82 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 1.23 0.00 0.00 27 Q 8.07 3.92 0.00 2.38 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 28 A 7.89 3.34 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 29 L 7.79 3.95 0.00 1.75 1.73 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.96 4.18 0.00 2.08 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 0.00 2.45 2.21 0.00 31 K 7.35 4.17 0.00 1.41 1.41 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.30 0.89 7.81 32 Y 7.85 4.87 0.00 3.02 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 33 N 8.76 4.85 0.00 2.70 2.84 0.00 0.00 6.99 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 34 I 7.64 3.88 2.03 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 1.47 1.45 0.91 0.00 0.00 35 E 9.20 3.97 0.00 1.99 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 0.00 2.41 2.40 0.00 36 K 8.02 3.97 0.00 1.93 2.04 0.00 1.47 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.48 7.81 37 D 8.00 4.13 0.00 2.77 2.06 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 38 I 7.50 3.75 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 1.63 0.90 0.92 0.00 0.00 39 A 7.97 3.94 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 40 A 8.10 3.88 1.32 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 0.00 0.00 41 Y 7.90 3.93 0.00 3.16 3.18 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 42 I 8.25 3.72 1.96 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.06 0.72 0.00 0.00 43 K 8.49 3.79 0.00 1.73 1.95 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.68 7.81 44 K 8.31 3.93 0.00 1.83 1.75 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.62 7.81 45 E 7.92 3.88 0.00 2.16 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 1.88 2.09 0.00 46 F 8.25 3.70 0.00 2.62 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.30 4.87 0.00 2.94 2.81 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 48 K 7.76 4.10 0.00 1.81 1.89 0.00 1.74 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.39 7.81 49 K 7.98 3.98 0.00 1.53 1.31 0.00 1.54 0.00 0.00 1.31 0.00 0.00 2.70 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.49 1.07 7.81 50 Y 7.45 4.72 0.00 3.30 3.25 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 51 N 8.52 4.61 0.00 3.00 2.92 0.00 0.00 7.11 8.02 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 52 P 0.00 4.85 0.00 2.05 2.01 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.17 0.00 53 T 7.98 4.71 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 1.11 0.00 0.00 54 W 9.28 5.07 0.00 3.15 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 55 H 9.08 4.88 0.00 1.96 2.89 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 56 C 8.73 5.43 0.00 2.88 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 57 I 8.86 4.49 1.81 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.58 0.10 0.00 0.00 58 V 8.11 4.78 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 0.77 0.00 0.00 0.91 0.00 0.00 59 G 8.92 4.78 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 60 R 8.89 4.62 0.00 1.85 2.01 0.00 3.26 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 61 N 7.65 4.67 0.00 2.70 2.78 0.00 0.00 6.92 7.02 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 62 F 7.53 4.71 0.00 3.17 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 63 G 8.78 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 64 S 8.09 4.67 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 65 Y 8.34 4.48 0.00 2.82 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 66 V 7.59 4.40 1.53 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 0.65 0.00 0.00 0.29 0.00 0.00 67 T 8.17 4.49 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 1.15 0.00 0.00 68 H 8.15 5.41 0.00 3.45 3.51 0.00 5.72 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.92 4.15 0.00 1.87 1.87 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 2.27 2.20 0.00 70 T 8.57 4.04 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 1.24 0.00 0.00 71 R 9.30 4.32 0.00 1.99 2.02 0.00 3.16 0.00 0.00 3.10 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 72 H 8.28 5.29 0.00 3.19 2.89 0.00 5.78 0.00 0.00 0.00 0.00 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 F 7.93 5.36 0.00 2.60 2.57 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 74 I 7.96 4.78 1.83 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 1.06 1.46 0.85 0.00 0.00 75 Y 9.22 5.16 0.00 2.83 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 76 F 8.89 5.25 0.00 3.17 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 77 Y 9.09 4.75 0.00 2.79 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 78 L 8.96 4.67 0.00 1.53 1.47 1.08 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 79 G 8.64 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 *80 Q 8.66 4.26 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.90 0.00 0.00 0.00 0.00 0.00 2.23 1.90 0.00 81 V 7.57 4.10 2.21 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 0.73 0.00 0.00 0.94 0.00 0.00 82 A 9.12 4.37 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 83 I 7.99 4.70 0.56 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.48 0.70 0.00 0.00 84 L 9.21 5.24 0.00 2.06 1.74 0.75 0.24 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 85 L 9.02 5.43 0.00 1.66 1.37 0.83 -0.42 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 86 F 9.30 5.70 0.00 3.43 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 87 K 8.31 4.38 0.00 0.79 0.87 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.51 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.74 0.35 7.81 88 S 9.02 4.52 0.00 4.13 3.75 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 0.00 0.00 0.00 89 G 8.51 4.01 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.