NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3647 8.3044 120.3195 54.7613 34.1653 174.5170 2 V 4.3295 7.3797 117.4022 60.8409 33.2251 172.8336 3 K 4.6580 8.6178 126.1286 54.6277 35.4290 174.2956 4 Q 4.7991 8.6259 125.8407 54.9582 30.1427 174.6308 5 I 4.2435 8.5204 128.3731 60.2199 38.2125 175.7280 6 E 4.7060 8.4358 124.8868 54.9516 31.1046 175.6183 7 S 4.5750 7.5379 112.6070 56.2940 66.5695 175.5983 8 K 3.9547 8.4047 123.0027 59.9996 31.8714 178.7952 9 T 3.8846 7.9985 115.2965 66.7587 68.3510 176.2205 10 A 3.9681 8.4947 123.0009 54.8515 18.3505 179.2826 11 F 3.9265 8.4358 119.3212 61.7114 39.5019 177.4191 12 Q 3.8609 8.6495 117.8434 58.9807 28.4752 178.5279 13 E 3.8953 8.4954 120.3536 59.0530 29.6668 178.7219 14 A 3.8846 8.0581 121.0974 55.0906 18.1952 179.6334 15 L 3.7094 7.2703 116.4837 57.5659 41.8586 179.0877 16 D 4.3559 8.0399 117.8217 57.4001 41.0976 178.2736 17 A 4.0466 8.0930 119.5396 54.5965 18.6249 179.0410 18 A 4.0214 8.0541 119.3581 52.3318 18.4963 178.8135 19 G 3.6693 8.2143 105.5549 47.1861 0.0000 175.8132 20 D 4.5926 8.7773 124.1439 53.5362 39.8992 176.7669 21 K 4.1772 7.7607 120.2015 55.8742 32.8675 176.4917 22 L 4.3146 8.3797 124.2650 55.3566 43.4560 175.5402 23 V 4.7025 8.8421 125.6752 61.0232 34.3712 174.0889 24 V 4.4654 8.6449 128.0241 60.9727 34.0394 174.0919 25 V 4.7657 8.7334 128.3538 61.1568 34.0778 173.5669 26 D 4.4654 8.8315 128.7075 52.7635 42.5085 175.0211 27 F 5.0304 8.7288 127.0260 56.4031 40.3463 175.4472 28 S 4.8362 8.8596 117.5846 56.6514 67.3528 172.5408 29 A 4.7964 7.6807 119.8930 50.3977 21.8297 177.5708 30 T 3.8849 8.5431 110.2952 63.4503 69.2257 175.3751 31 W 4.4636 7.4238 117.4543 56.8859 28.9578 176.1151 32 C 4.4564 7.2824 120.5727 57.7451 31.3050 173.6597 33 G 3.7208 8.6230 115.5713 47.7615 0.0000 172.0450 34 P 4.3105 0.0000 0.0000 65.1549 31.0424 178.5278 35 C 4.0934 7.7644 114.4435 62.7998 28.2634 175.7746 36 K 4.1139 7.8119 119.8307 59.6728 31.3683 179.3018 37 M 4.0929 8.0691 118.2573 57.9186 32.1427 177.7091 38 I 4.3070 7.6602 116.0989 61.0642 38.3555 177.1462 39 K 3.9719 7.8177 120.6905 60.0278 32.0060 176.6152 40 P 4.2122 0.0000 0.0000 65.6415 31.2635 178.3805 41 F 4.2399 8.3146 119.0100 61.0594 39.5218 176.7517 42 F 4.0976 8.7765 120.7584 61.6958 39.3542 176.8235 43 H 4.0685 8.6929 116.3886 58.7446 28.4801 177.7754 44 S 3.9945 8.2060 116.4586 61.6395 62.6361 176.7525 45 L 3.8282 7.4513 122.6843 57.0674 40.9917 179.5896 46 S 3.1100 6.4963 113.1631 60.8378 62.8478 176.0430 47 E 4.0266 7.3628 120.9593 58.5802 29.3591 178.6559 48 K 3.9623 7.7722 119.0915 58.1840 33.8247 177.6046 49 Y 4.5537 7.9224 119.8097 56.3535 35.8934 176.2802 50 S 4.3924 8.0878 116.5292 59.8445 64.0031 175.6752 51 N 4.6894 8.1838 117.2960 53.3879 37.6026 174.6295 52 V 4.5810 7.6974 118.3897 61.3655 34.8748 174.4866 53 I 4.4979 8.3178 127.0738 59.9130 38.8402 174.5601 54 F 5.2281 8.8413 124.6017 55.6422 41.8769 174.1912 55 L 5.1376 9.3753 123.4425 52.8542 45.5609 174.9520 56 E 4.9442 9.0902 122.9498 54.3371 32.7174 174.7136 57 V 4.4289 8.3679 126.3878 60.9787 34.5877 173.8713 58 D 5.0188 8.5643 128.1306 53.2354 41.4584 177.3629 59 V 3.7878 8.6539 121.1891 64.1820 31.7639 177.9959 60 D 4.3855 8.3251 118.6076 56.1174 41.1063 177.4119 61 D 4.5406 8.0314 118.7171 56.4568 41.8811 176.6001 62 C 4.9015 7.5082 115.1221 57.6641 28.7313 174.7934 63 Q 4.1307 7.9619 121.8592 58.8110 28.7576 178.4066 64 D 4.2888 7.9947 119.8288 56.4835 39.2534 178.6796 65 V 3.3546 7.6274 117.9778 65.4004 31.8396 177.2680 66 A 3.8117 7.9787 120.4474 55.0848 17.9714 179.6133 67 S 4.0020 7.9762 110.6560 61.3068 62.6884 177.4364 68 E 4.2155 8.0435 120.5627 56.0849 29.6167 177.0106 *70 E 4.0995 8.1457 115.1367 56.0169 31.1199 176.6591 71 V 3.6244 7.5012 118.4621 62.7426 32.1067 175.6554 72 K 4.5815 8.3929 122.9588 55.9281 34.5152 175.9422 73 C 5.0103 7.4933 114.8789 57.9376 31.8701 173.1102 74 M 4.5742 8.3666 120.7166 52.6752 34.5339 174.1656 75 P 4.5085 0.0000 0.0000 62.9255 33.4210 175.0312 76 T 4.8130 8.1422 116.5471 61.7022 72.2586 173.0126 77 F 5.0395 8.6356 124.5238 55.7982 41.3057 174.7785 78 Q 5.2458 8.8946 122.3332 54.0607 32.5977 174.5840 79 F 5.2813 8.7441 119.6667 55.8239 42.8077 174.2021 80 F 5.4379 9.5144 121.1917 55.7556 43.5662 174.1314 81 K 4.7191 8.8431 120.4763 55.1130 36.1829 176.9102 82 K 3.9247 9.8185 124.8453 57.6462 29.5532 176.3016 83 G 3.9573 8.4903 104.0009 45.6901 0.0000 173.6072 84 Q 4.7567 7.9148 119.1007 53.4632 31.0771 174.8757 85 K 3.9713 8.7970 123.6735 56.5203 32.3494 176.6252 86 V 4.3262 8.1749 119.2420 60.8655 33.0079 175.6877 87 G 4.1165 7.7071 105.9767 46.1087 0.0000 172.0915 88 E 5.6770 8.8985 120.0540 55.3333 32.6621 173.8832 89 F 5.2253 9.0245 119.7170 56.0612 41.8359 172.8561 90 S 5.1819 9.2237 113.8852 57.3113 65.5059 174.6272 91 G 4.0698 9.0812 106.9733 46.0010 0.0000 174.2285 92 A 4.5267 8.2322 124.3923 50.8821 17.5922 178.6961 93 N 4.7724 7.8999 120.3619 51.1108 40.4556 174.3731 94 K 3.8989 8.2607 128.1688 59.3805 32.2840 178.7367 95 E 3.9147 7.9909 119.0089 59.2206 29.5330 178.5362 96 K 3.7705 8.4568 119.7576 59.4057 32.1842 178.2150 97 L 4.3302 8.0798 120.6521 58.3656 42.0443 178.5139 98 E 4.0062 8.5928 118.7376 59.2021 29.7348 178.2077 99 A 4.3231 8.2129 117.5320 53.2523 18.6538 179.0283 100 T 3.8008 8.2644 117.0961 65.3109 68.7457 176.7256 101 I 3.7416 8.0036 118.8067 63.8928 36.6800 177.5951 102 N 4.4074 5.7700 128.3385 56.2316 39.2376 175.2690 103 E 4.1153 7.6864 120.0323 58.0963 29.9336 177.4084 104 L 4.4202 7.4644 117.0355 55.4821 42.8117 176.6879 105 V 3.7901 7.6313 122.4762 61.8111 31.4294 175.7962 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 M 8.30 4.36 0.00 1.92 2.09 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 2 V 7.38 4.33 1.99 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 1.08 0.00 0.00 0.85 0.00 0.00 3 K 8.62 4.66 0.00 1.78 1.67 0.00 1.90 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.35 7.81 4 Q 8.63 4.80 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 5 I 8.52 4.24 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.03 1.05 0.00 0.00 6 E 8.44 4.71 0.00 1.90 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 2.19 2.20 0.00 7 S 7.54 4.57 0.00 4.00 3.92 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 8 K 8.40 3.95 0.00 1.96 1.86 0.00 1.75 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.65 1.55 7.81 9 T 8.00 3.88 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 1.22 0.00 0.00 10 A 8.49 3.97 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 11 F 8.44 3.93 0.00 3.18 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 12 Q 8.65 3.86 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.57 0.00 0.00 0.00 0.00 0.00 2.46 2.65 0.00 13 E 8.50 3.90 0.00 2.04 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 2.27 2.45 0.00 14 A 8.06 3.88 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 15 L 7.27 3.71 0.00 1.48 1.50 0.17 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.04 4.36 0.00 2.75 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 17 A 8.09 4.05 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 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 19 G 8.21 3.67 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 0.00 0.00 0.00 20 D 8.78 4.59 0.00 2.80 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 21 K 7.76 4.18 0.00 1.84 1.77 0.00 1.92 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.51 7.81 22 L 8.38 4.31 0.00 1.77 1.49 1.09 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.84 4.70 2.16 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 0.87 0.00 0.00 0.91 0.00 0.00 24 V 8.64 4.47 1.52 0.00 0.00 0.00 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 0.70 0.00 0.00 25 V 8.73 4.77 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 0.27 0.00 0.00 1.07 0.00 0.00 26 D 8.83 4.47 0.00 1.58 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 0.00 0.00 0.00 27 F 8.73 5.03 0.00 2.84 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 28 S 8.86 4.84 0.00 3.63 3.85 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 0.00 0.00 0.00 29 A 7.68 4.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.54 3.88 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 1.19 0.00 0.00 31 W 7.42 4.46 0.00 3.52 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 32 C 7.28 4.46 0.00 1.93 2.53 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 0.00 0.00 0.00 0.00 33 G 8.62 3.72 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 0.00 0.00 0.00 34 P 0.00 4.31 0.00 2.18 2.16 0.00 3.56 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 35 C 7.76 4.09 0.00 2.96 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 36 K 7.81 4.11 0.00 1.92 1.85 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.60 7.81 37 M 8.07 4.09 0.00 2.02 2.30 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 2.79 2.57 0.00 38 I 7.66 4.31 2.02 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 1.77 1.90 1.22 0.00 0.00 39 K 7.82 3.97 0.00 1.80 1.77 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.19 1.49 7.81 40 P 0.00 4.21 0.00 2.27 2.12 0.00 3.89 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 2.15 2.15 0.00 41 F 8.31 4.24 0.00 3.16 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 42 F 8.78 4.10 0.00 3.37 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 43 H 8.69 4.07 0.00 3.39 3.27 0.00 5.88 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 44 S 8.21 3.99 0.00 3.92 4.20 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 45 L 7.45 3.83 0.00 1.17 1.50 0.87 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 46 S 6.50 3.11 0.00 3.78 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 47 E 7.36 4.03 0.00 1.98 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 2.24 2.34 0.00 48 K 7.77 3.96 0.00 1.49 1.68 0.00 1.57 0.00 0.00 1.43 0.00 0.00 2.66 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.30 1.00 7.81 49 Y 7.92 4.55 0.00 3.36 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 50 S 8.09 4.39 0.00 3.99 3.98 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 51 N 8.18 4.69 0.00 2.91 3.02 0.00 0.00 5.77 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 52 V 7.70 4.58 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 0.23 0.00 0.00 0.91 0.00 0.00 53 I 8.32 4.50 1.79 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 1.22 0.40 0.87 0.00 0.00 54 F 8.84 5.23 0.00 2.81 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 55 L 9.38 5.14 0.00 1.53 1.52 0.73 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 56 E 9.09 4.94 0.00 2.06 1.77 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 2.09 2.19 0.00 57 V 8.37 4.43 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 0.85 0.00 0.00 0.63 0.00 0.00 58 D 8.56 5.02 0.00 2.67 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 59 V 8.65 3.79 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 0.77 0.00 0.00 0.95 0.00 0.00 60 D 8.33 4.39 0.00 2.85 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 61 D 8.03 4.54 0.00 2.82 2.86 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 62 C 7.51 4.90 0.00 2.77 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 63 Q 7.96 4.13 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.91 0.00 0.00 0.00 0.00 0.00 2.64 2.43 0.00 64 D 7.99 4.29 0.00 3.08 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 65 V 7.63 3.35 2.07 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 0.14 0.00 0.00 0.77 0.00 0.00 66 A 7.98 3.81 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 67 S 7.98 4.00 0.00 3.86 4.06 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 68 E 8.04 4.22 0.00 1.98 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 2.34 2.44 0.00 *70 E 8.15 4.10 0.00 1.94 1.97 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 2.18 2.28 0.00 71 V 7.50 3.62 1.78 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 0.48 0.00 0.00 -0.31 0.00 0.00 72 K 8.39 4.58 0.00 1.70 1.76 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.59 7.81 73 C 7.49 5.01 0.00 3.08 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 74 M 8.37 4.57 0.00 1.44 1.72 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.40 0.00 75 P 0.00 4.51 0.00 1.45 1.90 0.00 3.64 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 2.16 2.04 0.00 76 T 8.14 4.81 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 1.17 0.00 0.00 77 F 8.64 5.04 0.00 2.13 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 78 Q 8.89 5.25 0.00 2.36 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 79 F 8.74 5.28 0.00 2.99 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 80 F 9.51 5.44 0.00 2.95 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 81 K 8.84 4.72 0.00 1.69 1.68 0.00 1.83 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.44 7.81 82 K 9.82 3.92 0.00 1.90 1.88 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.43 7.81 83 G 8.49 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 0.00 0.00 0.00 84 Q 7.91 4.76 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 85 K 8.80 3.97 0.00 1.69 1.69 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.25 1.00 7.81 86 V 8.17 4.33 2.07 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 0.78 0.00 0.00 0.99 0.00 0.00 87 G 7.71 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 0.00 0.00 0.00 0.00 88 E 8.90 5.68 0.00 1.99 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 2.26 2.32 0.00 89 F 9.02 5.23 0.00 3.26 3.19 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 90 S 9.22 5.18 0.00 4.00 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 91 G 9.08 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 0.00 0.00 0.00 92 A 8.23 4.53 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 93 N 7.90 4.77 0.00 2.81 2.76 0.00 0.00 7.06 6.56 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 94 K 8.26 3.90 0.00 1.42 0.74 0.00 1.32 0.00 0.00 0.67 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.09 1.27 7.81 95 E 7.99 3.91 0.00 1.98 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 2.34 2.36 0.00 96 K 8.46 3.77 0.00 1.66 1.59 0.00 0.79 0.00 0.00 0.61 0.00 0.00 2.67 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.30 0.98 7.81 97 L 8.08 4.33 0.00 2.05 2.04 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.59 4.01 0.00 2.39 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 2.45 2.46 0.00 99 A 8.21 4.32 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 0.00 100 T 8.26 3.80 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 0.41 0.00 0.00 101 I 8.00 3.74 1.89 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 1.64 1.21 0.49 0.00 0.00 102 N 5.77 4.41 0.00 2.78 2.87 0.00 0.00 7.03 7.17 0.00 0.00 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 E 7.69 4.12 0.00 2.07 1.99 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 2.25 2.42 0.00 104 L 7.46 4.42 0.00 1.56 1.66 0.59 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 105 V 7.63 3.79 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 0.66 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.