NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0783 7.8976 120.3952 63.0161 31.3942 176.6578 2 S 4.2688 8.6504 111.0649 57.7424 63.2261 173.7505 3 D 4.5964 7.9859 119.6948 53.5991 41.3509 178.0310 4 V 3.8274 7.3965 120.4192 61.5975 32.0922 173.8920 5 P 4.4109 0.0000 0.0000 63.1215 31.9956 175.9145 6 R 4.4549 8.8887 121.1661 56.2199 31.8446 176.0453 7 D 4.4457 8.5668 117.7554 55.3147 38.0571 173.5105 8 I 4.4621 7.4653 120.5548 61.6289 38.3418 176.6838 9 E 4.6952 9.8898 127.1538 54.5323 33.6496 174.7310 10 V 4.2077 8.3581 125.5276 61.6768 31.0598 175.6175 11 V 3.8441 8.6666 128.4418 65.5008 32.0071 175.9339 12 A 4.6432 7.4561 119.4787 50.8482 22.3018 175.0938 13 V 4.8193 8.2783 119.3941 61.4536 35.4908 174.2796 14 T 5.0077 8.4962 114.0603 58.4108 72.3621 172.7132 15 P 4.6435 0.0000 0.0000 65.4710 31.5534 177.8245 16 T 4.8146 8.0514 105.5770 59.7181 70.9056 173.1864 17 S 5.1055 8.2437 115.6983 58.0724 67.2528 172.7270 18 A 4.6474 8.7037 121.0807 50.6558 22.9099 175.0709 19 L 4.5876 8.9259 125.6846 53.9767 43.4934 175.2268 20 I 4.9752 8.9450 128.0031 59.8673 39.7205 174.8974 21 S 5.0326 8.9200 120.0195 56.6108 66.4548 172.1096 22 W 5.0823 7.4756 118.2191 56.9847 31.2204 173.0117 23 D 5.0303 9.0600 120.3915 52.2756 42.6778 176.3100 24 A 4.6438 8.6124 124.7868 51.1128 19.0733 175.7570 25 P 4.4057 0.0000 0.0000 62.4556 32.0134 176.5466 26 A 4.1104 8.4514 121.7555 54.8921 18.5734 178.8452 27 V 4.0544 6.9141 108.7476 60.6297 32.5867 176.2418 28 T 4.0528 8.3160 119.7865 63.6066 68.7927 174.1394 29 I 4.6876 7.9696 118.4868 59.2061 41.1989 175.2477 30 R 4.0094 8.8677 120.6301 58.1924 31.3768 176.1377 31 Y 5.4922 7.4278 113.9201 56.3603 43.1932 174.0355 32 I 4.6365 8.8555 121.6656 59.6416 40.5013 174.9230 33 R 4.4964 8.4280 126.7788 54.3272 31.9099 174.9218 34 L 4.8633 8.6772 127.3238 53.4313 44.5554 175.0436 35 T 5.2159 8.9953 123.5903 61.8857 71.8155 172.8782 36 Y 5.4500 8.4487 123.2660 55.6910 42.1388 174.1820 37 G 4.4982 8.8216 106.3048 45.6101 0.0000 172.4302 38 E 4.1748 8.9395 120.2522 56.1377 29.9421 177.6151 39 T 3.6347 8.2647 121.9226 65.1260 69.1569 174.6996 40 G 3.8378 8.9919 110.1443 45.8805 0.0000 172.0212 41 G 3.9948 7.6266 110.5731 45.5444 0.0000 170.6297 42 N 4.7200 8.5708 115.6713 52.8016 38.9756 175.6339 43 S 4.3684 7.6949 113.6982 56.6092 63.2639 171.8741 44 P 4.1830 0.0000 0.0000 63.2939 31.1960 175.7860 45 V 4.1895 8.0839 119.7140 61.2033 32.4459 174.5854 46 Q 4.2563 7.8586 129.0890 55.0865 30.4488 173.8975 47 E 5.1648 8.5704 126.2074 54.2429 32.4407 174.7742 48 I 4.6276 8.7239 119.4386 59.3647 41.1862 174.0521 49 T 4.8584 8.3652 120.5851 61.9561 70.2219 173.7761 50 L 4.9449 9.0255 126.0740 51.8983 45.8704 174.1958 51 P 4.7478 0.0000 0.0000 62.5079 31.9409 178.0959 52 G 3.7640 8.8809 113.4543 47.9537 0.0000 174.2729 53 S 4.5006 7.8856 112.4026 58.2773 63.9315 174.1708 54 K 4.1699 8.2404 124.4427 56.4670 32.5914 176.2253 55 S 3.7884 8.3567 118.7942 57.8410 64.3590 173.0437 56 T 4.4859 6.9495 109.0085 60.9165 72.1247 172.3940 57 Y 4.7722 8.9765 121.5782 57.1080 42.9928 173.0503 58 T 4.7031 7.5316 123.0458 61.8872 70.3132 173.8686 59 I 4.0498 8.2849 128.7583 60.2134 38.7928 175.3649 60 S 4.8283 7.9364 120.3075 56.7301 66.6571 173.7326 61 G 3.8654 8.6481 104.9159 46.5424 0.0000 173.6536 62 L 4.5300 7.7824 119.8732 53.5038 43.6898 175.8259 63 K 4.6280 9.3056 120.3849 54.6436 33.2925 175.5848 64 P 5.1166 0.0000 0.0000 62.2084 32.3085 175.9007 65 G 4.1238 8.9926 109.4199 47.0600 0.0000 173.3689 66 T 4.6148 8.0402 113.9043 61.2885 72.6456 173.9588 67 D 4.9411 8.2626 124.7725 54.0183 42.4244 175.0484 68 Y 5.0267 8.5415 120.6520 56.2991 42.3655 174.5618 69 T 5.2442 9.3899 118.3796 61.8372 72.3718 173.2819 70 V 5.1114 8.9481 124.9087 61.5282 34.7614 174.1726 71 T 5.2580 9.4668 124.4665 61.7672 71.8050 173.1248 72 L 5.2896 9.4982 126.0992 53.2142 45.7364 175.1192 73 Y 5.1791 8.1730 119.2231 55.8520 41.7804 173.9439 74 S 5.1067 9.0788 116.3863 57.1726 66.1582 172.9325 75 V 5.0622 8.9717 121.6596 61.4558 34.1083 174.3778 76 T 4.7483 9.1695 117.9871 60.9238 72.0041 173.7956 77 G 4.0296 8.9603 108.7859 44.8646 0.0000 172.6977 78 R 4.3451 8.1563 115.2942 54.7734 30.7091 175.1256 79 G 3.8653 8.0277 105.7328 46.5154 0.0000 173.6009 *82 P 4.1806 0.0000 0.0000 61.4808 33.0972 175.1617 83 A 4.8073 8.3456 119.8410 51.0212 20.9542 176.6529 84 S 5.4454 8.5818 117.1575 56.7791 65.7852 174.1753 85 S 4.7547 8.5520 118.1678 56.8117 64.6379 174.0333 86 K 4.1204 8.4169 119.8593 55.9319 33.0643 175.1357 87 P 4.9379 0.0000 0.0000 62.9369 32.5041 175.1785 88 A 4.9608 9.2488 122.5447 50.3486 22.2764 175.3180 89 S 5.3220 8.6290 115.0369 57.1511 66.9189 172.7796 90 I 4.8576 8.7648 112.3634 59.6599 41.1414 173.5469 91 N 5.7190 8.7962 119.8588 51.8062 41.8316 173.4984 92 F 5.0505 8.5034 115.8418 55.8973 42.1655 172.6719 93 R 5.1958 8.6499 119.1243 54.5575 32.1571 175.1640 94 T 4.5556 8.9200 116.2001 61.4114 70.8850 173.6835 95 E 4.2640 8.8144 121.7202 56.2394 31.1580 177.7485 96 I 4.0982 8.1445 120.8217 61.7171 37.4162 176.0676 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 V 7.90 4.08 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 1.00 0.00 0.00 0.94 0.00 0.00 2 S 8.65 4.27 0.00 4.14 4.10 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 3 D 7.99 4.60 0.00 2.80 2.84 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 4 V 7.40 3.83 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 0.85 0.00 0.00 1.06 0.00 0.00 5 P 0.00 4.41 0.00 1.95 1.77 0.00 3.70 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 1.84 2.04 0.00 6 R 8.89 4.45 0.00 1.94 1.89 0.00 3.42 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 7 D 8.57 4.45 0.00 3.05 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 8 I 7.47 4.46 1.95 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 1.29 0.53 1.02 0.00 0.00 9 E 9.89 4.70 0.00 2.00 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 2.28 2.25 0.00 10 V 8.36 4.21 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 0.59 0.00 0.00 1.02 0.00 0.00 11 V 8.67 3.84 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 0.72 0.00 0.00 0.89 0.00 0.00 12 A 7.46 4.64 1.14 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 0.00 0.00 13 V 8.28 4.82 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 1.07 0.00 0.00 0.72 0.00 0.00 14 T 8.50 5.01 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 1.17 0.00 0.00 15 P 0.00 4.64 0.00 2.22 2.17 0.00 3.54 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 16 T 8.05 4.81 4.31 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 1.27 0.00 0.00 17 S 8.24 5.11 0.00 3.81 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 18 A 8.70 4.65 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.93 4.59 0.00 1.61 1.44 0.82 0.83 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 20 I 8.95 4.98 2.27 0.00 0.00 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 1.09 0.95 1.25 0.00 0.00 21 S 8.92 5.03 0.00 3.76 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 22 W 7.48 5.08 0.00 3.44 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 23 D 9.06 5.03 0.00 2.63 2.63 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 24 A 8.61 4.64 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 25 P 0.00 4.41 0.00 2.36 2.29 0.00 3.88 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 26 A 8.45 4.11 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 27 V 6.91 4.05 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 1.02 0.00 0.00 28 T 8.32 4.05 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 1.18 0.00 0.00 29 I 7.97 4.69 1.86 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.64 0.98 0.00 0.00 30 R 8.87 4.01 0.00 1.43 0.66 0.00 3.21 0.00 0.00 2.81 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.41 0.00 31 Y 7.43 5.49 0.00 2.90 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 32 I 8.86 4.64 1.89 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 1.32 1.56 0.48 0.00 0.00 33 R 8.43 4.50 0.00 0.67 1.14 0.00 3.25 0.00 0.00 2.89 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.18 0.00 34 L 8.68 4.86 0.00 1.31 1.20 0.85 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 35 T 9.00 5.22 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 36 Y 8.45 5.45 0.00 3.07 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 37 G 8.82 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 38 E 8.94 4.17 0.00 1.75 1.63 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 1.85 2.35 0.00 39 T 8.26 3.63 4.14 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 1.17 0.00 0.00 40 G 8.99 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 0.00 0.00 0.00 41 G 7.63 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 42 N 8.57 4.72 0.00 2.70 2.84 0.00 0.00 6.89 7.57 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 43 S 7.69 4.37 0.00 3.83 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 44 P 0.00 4.18 0.00 2.19 2.06 0.00 3.79 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 45 V 8.08 4.19 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 0.79 0.00 0.00 0.91 0.00 0.00 46 Q 7.86 4.26 0.00 1.95 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.52 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 47 E 8.57 5.16 0.00 1.91 1.70 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 2.08 2.15 0.00 48 I 8.72 4.63 1.71 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.83 0.93 0.00 0.00 49 T 8.37 4.86 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 0.92 0.00 0.00 50 L 9.03 4.94 0.00 1.59 1.64 0.99 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.75 0.00 2.14 2.04 0.00 3.71 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 52 G 8.88 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 53 S 7.89 4.50 0.00 3.99 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 54 K 8.24 4.17 0.00 1.81 2.03 0.00 1.86 0.00 0.00 1.95 0.00 0.00 3.29 0.00 0.00 3.61 0.00 0.00 0.00 0.00 1.68 1.40 7.81 55 S 8.36 3.79 0.00 3.57 3.74 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 56 T 6.95 4.49 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 0.93 0.00 0.00 57 Y 8.98 4.77 0.00 3.44 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 58 T 7.53 4.70 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 0.99 0.00 0.00 59 I 8.28 4.05 1.53 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.66 -0.26 0.00 0.00 60 S 7.94 4.83 0.00 3.74 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 61 G 8.65 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 62 L 7.78 4.53 0.00 1.50 1.31 0.60 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 63 K 9.31 4.63 0.00 1.73 1.81 0.00 1.85 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.60 7.81 64 P 0.00 5.12 0.00 1.97 2.09 0.00 3.92 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 65 G 8.99 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 66 T 8.04 4.61 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 0.52 0.00 0.00 67 D 8.26 4.94 0.00 2.45 2.44 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 68 Y 8.54 5.03 0.00 1.70 2.54 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 69 T 9.39 5.24 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 1.30 0.00 0.00 70 V 8.95 5.11 2.28 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 1.12 0.00 0.00 1.28 0.00 0.00 71 T 9.47 5.26 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 1.28 0.00 0.00 72 L 9.50 5.29 0.00 1.23 1.12 -0.06 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 73 Y 8.17 5.18 0.00 3.15 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 74 S 9.08 5.11 0.00 3.94 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 75 V 8.97 5.06 2.33 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 1.23 0.00 0.00 1.11 0.00 0.00 76 T 9.17 4.75 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 1.30 0.00 0.00 77 G 8.96 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 78 R 8.16 4.35 0.00 1.94 1.96 0.00 3.20 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 79 G 8.03 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 *82 P 0.00 4.18 0.00 2.17 2.27 0.00 3.72 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 2.05 2.33 0.00 83 A 8.35 4.81 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 84 S 8.58 5.45 0.00 3.61 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 85 S 8.55 4.75 0.00 4.17 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 86 K 8.42 4.12 0.00 1.87 1.84 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.43 7.81 87 P 0.00 4.94 0.00 2.14 2.14 0.00 3.65 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 88 A 9.25 4.96 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 89 S 8.63 5.32 0.00 3.99 3.83 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 90 I 8.76 4.86 1.99 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.88 0.99 0.00 0.00 91 N 8.80 5.72 0.00 2.62 2.71 0.00 0.00 6.73 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 92 F 8.50 5.05 0.00 3.19 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 93 R 8.65 5.20 0.00 1.83 1.88 0.00 3.24 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 94 T 8.92 4.56 4.64 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 1.49 0.00 0.00 95 E 8.81 4.26 0.00 2.07 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 2.37 2.25 0.00 96 I 8.14 4.10 1.89 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 1.30 0.54 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.