NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6835 8.1633 120.6136 55.4152 33.9786 174.0101 2 K 4.9820 9.1281 124.9084 53.6492 36.7184 173.4662 3 K 4.8102 9.9544 126.5905 55.3688 34.7694 174.9709 4 I 4.9514 8.9532 127.9219 59.7442 40.1091 174.1179 5 E 5.1634 9.2103 127.3786 54.5813 31.8564 174.9838 6 A 5.0211 8.9993 126.6786 50.0581 21.9653 174.9869 7 I 4.6595 8.7223 125.2372 61.0828 38.4013 175.5477 8 I 4.9372 8.7929 120.1654 58.5692 41.8304 175.1071 9 R 4.2423 8.3770 121.9822 55.7457 30.7777 175.9357 10 P 4.2773 0.0000 0.0000 65.8589 31.1909 178.6602 11 F 4.4411 8.3144 110.9277 59.1301 38.0126 176.5319 12 K 3.7901 7.5707 118.4074 56.8875 31.9447 178.0837 13 L 3.8469 7.6122 122.0075 58.5569 41.8728 178.3582 14 D 4.3095 8.0150 116.8928 57.3287 41.2579 177.6882 15 E 3.8982 8.0783 119.2984 59.2285 29.6850 178.8305 16 V 3.5092 7.9183 118.3638 65.7096 31.5359 177.5788 17 K 3.8068 8.3518 119.8801 59.9011 31.9588 178.5910 18 I 3.6742 7.9467 119.5497 64.3015 37.0509 178.2982 19 A 3.9829 8.0149 121.5670 55.1356 18.1325 179.7709 20 L 3.9059 8.0719 117.5313 57.8765 41.7505 179.8140 21 V 3.8414 7.9720 119.8542 65.6886 31.2557 177.8944 22 N 4.4061 8.0248 114.6296 55.7986 38.3972 176.2994 23 A 4.3920 7.6027 119.7935 52.0348 18.7092 178.0116 24 G 3.8685 7.9382 106.1499 45.5145 0.0000 173.9613 25 I 3.9460 8.0425 122.0597 60.9979 37.8147 176.3425 26 V 3.9747 8.6304 124.5791 64.0609 32.5643 175.8383 27 G 4.1971 7.4420 106.4481 44.1873 0.0000 172.1248 28 M 4.8256 7.8893 117.9535 54.6436 35.2411 173.8278 29 T 4.7842 8.7496 115.4102 59.9599 72.2998 173.0229 30 V 5.1439 8.4623 116.7132 59.7281 34.6081 174.9922 31 S 4.8117 8.8045 117.4706 56.5367 66.8600 172.8007 32 E 4.6378 8.7093 120.4428 56.2931 30.3462 176.1942 33 V 4.5384 8.5870 122.0194 61.6926 35.6422 173.2192 34 R 5.1746 8.5085 123.8682 54.6852 32.9438 175.2188 35 G 4.6851 9.3302 109.0704 45.2747 0.0000 171.4182 36 F 5.1937 8.5643 114.4120 54.7642 40.7091 175.3895 37 G 3.9674 8.4806 109.7402 43.7634 0.0000 171.3478 38 R 4.1959 8.1370 120.7351 56.4185 30.6997 177.1232 39 Q 4.4090 8.7914 124.8158 54.3188 28.9840 172.7398 40 K 3.6500 8.1128 124.5658 55.1349 31.7023 171.0901 *43 T 4.3850 7.3650 108.3305 61.6129 70.2415 172.6161 44 E 4.7854 8.7497 123.4130 54.7524 32.0500 174.9009 45 R 4.9700 8.5766 124.8774 55.5216 32.3717 175.7608 46 Y 4.5762 9.2410 122.8997 58.0032 41.5629 174.6460 47 R 3.5895 9.6097 126.4759 57.1048 27.9392 177.1327 48 G 4.0338 8.6413 106.7567 45.2616 0.0000 174.6822 49 S 4.6442 8.0383 115.3562 56.8013 64.7720 172.9722 50 E 4.7980 8.0655 122.0473 55.7120 30.6279 175.7903 51 Y 4.8309 8.7445 119.9939 56.6102 41.6031 174.8170 52 T 4.3183 8.6928 111.6506 62.5574 70.6804 175.6579 53 V 3.6122 7.4202 119.8070 59.7627 32.0449 174.9944 54 E 4.1377 7.5036 117.6802 54.8612 31.2656 175.3534 55 F 4.6794 8.3142 119.2688 57.4873 39.8382 174.8509 56 L 4.2392 8.9583 123.7000 52.1032 44.8695 175.5779 57 Q 4.4339 8.3392 123.8243 57.1935 29.6056 175.6249 58 K 4.8662 9.5882 125.0759 54.9338 37.5546 174.7378 59 L 5.0979 8.8069 120.5454 53.0471 44.6451 175.9994 60 K 4.7869 9.0280 125.3315 54.9450 33.8770 174.4392 61 L 5.1722 8.7113 130.5739 53.4352 44.3928 174.7392 62 E 5.3481 9.4016 126.1227 54.5256 32.7484 175.0452 63 I 4.9887 8.7812 117.2602 59.0443 41.4900 174.1980 64 V 4.8872 8.3538 123.2145 61.4137 33.5367 174.7663 65 V 4.6006 8.7320 126.1302 61.2012 35.6905 173.9278 66 E 4.4250 9.0876 124.6535 55.9995 30.2352 177.8614 67 D 4.4043 9.0373 123.0336 57.9586 40.7034 179.7737 68 A 4.0402 7.9055 118.7721 54.8841 18.7406 178.8935 69 Q 4.1355 8.3323 116.0520 57.4324 28.8502 178.3440 70 V 3.5396 7.4378 120.4854 66.2975 31.5753 177.5435 71 D 4.3590 8.0725 118.1171 57.6529 40.7245 178.8173 72 T 4.0057 7.8219 109.7093 64.4233 68.9537 176.9649 73 V 3.5603 7.7909 121.2413 65.7606 31.5470 177.9004 74 I 3.6383 7.8747 119.5849 64.6384 36.9661 177.7879 75 D 4.3839 8.0212 119.5010 57.5038 40.7072 179.2198 76 K 3.9021 8.1413 119.6513 59.5050 32.1708 178.9045 77 I 3.6085 7.9436 120.2565 64.3247 37.1647 178.3446 78 V 3.5094 8.1374 119.1898 66.2319 31.0983 177.9253 79 A 3.9843 7.9548 118.6363 55.0831 18.2604 179.0811 80 A 4.0829 7.9198 118.1327 54.2847 18.7268 178.7924 81 A 4.2549 7.9139 117.4123 51.7780 20.0364 177.5840 82 R 4.2105 7.4165 118.4347 56.4592 30.6394 176.1455 83 T 4.4300 9.8683 114.3615 60.9311 70.6260 175.5000 84 G 3.9742 8.8367 109.3972 45.0353 0.0000 173.0001 85 E 4.4973 8.0425 119.6589 54.6353 30.8574 175.8805 86 I 3.7622 8.2159 122.5818 63.3011 38.0456 176.1876 87 G 4.3192 9.0234 110.9760 46.2338 0.0000 175.2184 88 D 4.0928 7.5510 120.5945 55.7686 41.1068 175.5486 89 G 4.2822 7.5934 100.7962 44.7650 0.0000 172.4054 90 K 4.5546 8.1868 115.4921 54.7300 36.8781 175.4788 91 I 4.7610 7.8135 121.9423 59.4653 40.1674 174.9848 92 F 5.0427 9.2502 124.6722 55.6067 42.3188 174.2357 93 V 5.0009 8.6181 122.6539 61.1894 33.5710 174.6547 94 S 4.9418 9.0350 121.6174 55.7019 66.9001 171.5499 95 P 4.8496 0.0000 0.0000 62.9071 32.1341 175.5954 96 V 4.3561 8.3054 121.7639 61.5275 33.1988 175.2742 97 D 4.5495 8.9736 127.6505 56.9941 41.3803 176.2312 98 Q 5.1569 7.3388 116.3356 56.0572 32.2269 173.7851 99 T 4.7830 8.4031 119.9257 61.8981 72.8851 172.8465 100 I 5.0763 8.2214 125.3003 59.5977 40.8832 175.0208 101 R 4.1776 8.7596 126.7211 55.7338 30.6369 177.9420 102 I 3.7035 8.5961 125.5728 64.3442 37.4147 177.7442 103 R 4.1353 7.9782 115.4524 58.1063 29.8694 177.1357 104 T 4.1980 8.0881 107.3116 61.0663 70.0683 175.7118 105 G 3.9075 8.4331 109.3745 44.4755 0.0000 172.9042 106 E 3.9904 7.8477 122.4658 56.6371 30.6043 176.7022 107 K 5.4771 8.0477 126.5133 55.8798 35.3150 174.8837 108 N 4.3694 8.0807 112.7292 53.2991 42.6608 174.1233 109 A 4.2214 8.9154 127.6600 52.3909 21.1934 174.6303 110 D 4.4065 9.0876 121.9394 54.5619 41.4504 173.0408 111 A 4.2348 8.3313 125.8381 52.7075 18.3319 177.9507 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 8.16 4.68 0.00 2.33 2.01 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.59 0.00 2 K 9.13 4.98 0.00 1.66 1.63 0.00 1.73 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.53 1.60 7.81 3 K 9.95 4.81 0.00 1.79 1.67 0.00 1.57 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.42 7.81 4 I 8.95 4.95 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.68 0.90 0.00 0.00 5 E 9.21 5.16 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 6 A 9.00 5.02 1.16 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 0.00 0.00 7 I 8.72 4.66 1.87 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 1.40 1.11 0.94 0.00 0.00 8 I 8.79 4.94 1.78 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.80 0.85 0.00 0.00 9 R 8.38 4.24 0.00 1.63 2.00 0.00 3.43 0.00 0.00 3.46 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.62 0.00 10 P 0.00 4.28 0.00 2.26 2.18 0.00 3.75 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 11 F 8.31 4.44 0.00 3.15 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 12 K 7.57 3.79 0.00 1.61 1.61 0.00 1.62 0.00 0.00 1.08 0.00 0.00 2.84 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.30 1.28 7.81 13 L 7.61 3.85 0.00 1.93 1.68 0.92 1.09 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 14 D 8.02 4.31 0.00 2.84 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 15 E 8.08 3.90 0.00 2.07 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 0.00 2.36 2.37 0.00 16 V 7.92 3.51 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 0.90 0.00 0.00 0.88 0.00 0.00 17 K 8.35 3.81 0.00 1.90 1.97 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.50 7.81 18 I 7.95 3.67 2.00 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 1.46 0.49 0.91 0.00 0.00 19 A 8.01 3.98 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 20 L 8.07 3.91 0.00 2.01 1.72 0.91 0.70 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 21 V 7.97 3.84 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 1.17 0.00 0.00 0.95 0.00 0.00 22 N 8.02 4.41 0.00 2.97 2.87 0.00 0.00 7.06 7.49 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 23 A 7.60 4.39 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 24 G 7.94 3.87 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 0.00 0.00 0.00 25 I 8.04 3.95 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.39 0.91 0.00 0.00 26 V 8.63 3.97 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 0.80 0.00 0.00 0.93 0.00 0.00 27 G 7.44 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 0.00 0.00 0.00 28 M 7.89 4.83 0.00 1.98 1.88 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 2.42 2.47 0.00 29 T 8.75 4.78 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 1.21 0.00 0.00 30 V 8.46 5.14 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 0.76 0.00 0.00 0.93 0.00 0.00 31 S 8.80 4.81 0.00 3.84 3.90 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 32 E 8.71 4.64 0.00 1.88 1.92 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 2.32 2.31 0.00 33 V 8.59 4.54 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 0.94 0.00 0.00 0.92 0.00 0.00 34 R 8.51 5.17 0.00 1.56 1.86 0.00 3.25 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 35 G 9.33 4.69 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 0.00 36 F 8.56 5.19 0.00 2.87 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 37 G 8.48 3.97 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 0.00 0.00 0.00 38 R 8.14 4.20 0.00 1.99 1.99 0.00 3.53 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 39 Q 8.79 4.41 0.00 2.04 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.16 0.00 0.00 0.00 0.00 0.00 2.18 1.89 0.00 40 K 8.11 3.65 0.00 1.87 1.62 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.27 0.97 7.81 *43 T 7.37 4.39 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 1.22 0.00 0.00 44 E 8.75 4.79 0.00 2.16 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 2.36 2.57 0.00 45 R 8.58 4.97 0.00 1.81 1.90 0.00 3.31 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 46 Y 9.24 4.58 0.00 3.15 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 47 R 9.61 3.59 0.00 1.67 1.81 0.00 3.00 0.00 0.00 2.92 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.69 0.00 48 G 8.64 4.03 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 0.00 49 S 8.04 4.64 0.00 3.80 3.37 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 50 E 8.07 4.80 0.00 1.80 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 0.00 2.24 2.26 0.00 51 Y 8.74 4.83 0.00 3.04 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 52 T 8.69 4.32 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 1.20 0.00 0.00 53 V 7.42 3.61 1.83 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 0.57 0.00 0.00 0.30 0.00 0.00 54 E 7.50 4.14 0.00 1.91 1.86 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 2.18 2.32 0.00 55 F 8.31 4.68 0.00 2.93 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 56 L 8.96 4.24 0.00 1.30 0.78 0.96 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.34 4.43 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.79 0.00 0.00 0.00 0.00 0.00 2.46 2.55 0.00 58 K 9.59 4.87 0.00 1.65 1.87 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.58 7.81 59 L 8.81 5.10 0.00 1.56 1.54 0.97 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.03 4.79 0.00 1.83 1.69 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.40 7.81 61 L 8.71 5.17 0.00 1.79 1.62 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 62 E 9.40 5.35 0.00 1.88 1.80 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 2.23 2.23 0.00 63 I 8.78 4.99 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.14 0.98 0.00 0.00 64 V 8.35 4.89 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 0.80 0.00 0.00 0.93 0.00 0.00 65 V 8.73 4.60 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 0.94 0.00 0.00 1.00 0.00 0.00 66 E 9.09 4.43 0.00 2.18 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 2.33 2.42 0.00 67 D 9.04 4.40 0.00 2.75 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 68 A 7.91 4.04 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 69 Q 8.33 4.14 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 70 V 7.44 3.54 2.17 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 1.03 0.00 0.00 0.99 0.00 0.00 71 D 8.07 4.36 0.00 2.72 2.70 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 72 T 7.82 4.01 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 1.21 0.00 0.00 73 V 7.79 3.56 2.27 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 1.10 0.00 0.00 0.99 0.00 0.00 74 I 7.87 3.64 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.44 0.88 0.00 0.00 75 D 8.02 4.38 0.00 2.85 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 76 K 8.14 3.90 0.00 2.10 1.84 0.00 1.52 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.51 7.81 77 I 7.94 3.61 1.94 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.57 0.86 0.00 0.00 78 V 8.14 3.51 2.18 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 0.98 0.00 0.00 0.93 0.00 0.00 79 A 7.95 3.98 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 80 A 7.92 4.08 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 81 A 7.91 4.25 1.25 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 0.00 0.00 82 R 7.42 4.21 0.00 1.89 1.88 0.00 3.21 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 83 T 9.87 4.43 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 1.40 0.00 0.00 84 G 8.84 3.97 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 0.00 0.00 0.00 85 E 8.04 4.50 0.00 2.07 1.92 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 2.32 2.46 0.00 86 I 8.22 3.76 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.49 0.99 0.00 0.00 87 G 9.02 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 0.00 0.00 0.00 0.00 88 D 7.55 4.09 0.00 2.59 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 89 G 7.59 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 0.00 0.00 0.00 0.00 90 K 8.19 4.55 0.00 1.35 0.82 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.27 1.38 7.81 91 I 7.81 4.76 1.72 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.46 0.90 0.00 0.00 92 F 9.25 5.04 0.00 2.99 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 93 V 8.62 5.00 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 0.85 0.00 0.00 0.94 0.00 0.00 94 S 9.04 4.94 0.00 3.87 3.89 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 95 P 0.00 4.85 0.00 2.10 2.09 0.00 3.70 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 1.98 1.96 0.00 96 V 8.31 4.36 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 0.80 0.00 0.00 0.95 0.00 0.00 97 D 8.97 4.55 0.00 2.70 2.70 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 98 Q 7.34 5.16 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.69 0.00 0.00 0.00 0.00 0.00 2.25 2.22 0.00 99 T 8.40 4.78 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 1.21 0.00 0.00 100 I 8.22 5.08 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.87 0.91 0.00 0.00 101 R 8.76 4.18 0.00 1.78 1.85 0.00 3.22 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 102 I 8.60 3.70 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.46 0.91 0.00 0.00 103 R 7.98 4.14 0.00 1.92 2.06 0.00 3.01 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 104 T 8.09 4.20 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 1.21 0.00 0.00 105 G 8.43 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 0.00 0.00 0.00 106 E 7.85 3.99 0.00 2.03 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 2.30 2.30 0.00 107 K 8.05 5.48 0.00 1.67 1.76 0.00 1.91 0.00 0.00 2.36 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.41 7.81 108 N 8.08 4.37 0.00 2.62 2.66 0.00 0.00 6.48 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 0.00 109 A 8.92 4.22 1.18 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 0.00 0.00 110 D 9.09 4.41 0.00 2.69 2.37 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 0.00 111 A 8.33 4.23 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 * Residues marked with a * may have inaccurate shift predictions.