NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7449 8.1633 120.2779 55.2220 34.1698 173.9553 2 K 4.8326 8.9656 120.8887 53.6888 36.7811 173.3550 3 K 4.8504 9.7914 126.2661 55.2027 34.6830 174.7393 4 I 4.8145 8.9400 128.4675 59.5845 39.7292 174.0141 5 E 5.0809 9.4534 128.9231 54.4197 31.9276 174.2301 6 A 5.0845 9.2151 129.5644 50.1361 22.2004 174.5150 7 I 4.9498 8.7447 124.2442 59.6464 39.4986 175.1383 8 I 5.0808 8.6578 119.7790 58.7832 42.0070 174.7868 9 R 4.2575 8.3361 121.0285 55.6237 30.5250 176.3302 10 P 4.2838 0.0000 0.0000 65.7005 31.4698 178.2253 11 F 4.5261 8.2341 110.4540 58.3553 38.2717 176.2972 12 K 3.9959 7.8266 121.3609 56.3872 31.9131 177.8821 13 L 3.8784 7.5024 122.4550 58.4410 42.0165 178.2851 14 D 4.3318 8.0944 117.1241 57.5423 41.1006 177.9912 15 E 3.9831 8.0737 118.5531 59.1350 29.5274 179.1855 16 V 3.5140 7.7865 118.3356 65.8233 31.5187 177.8114 17 K 3.8563 8.2756 119.5450 59.7543 32.0446 178.6117 18 I 3.6607 7.8191 119.6093 64.4817 36.6730 178.3731 19 A 4.0364 8.2294 121.5890 54.8881 18.0653 179.8264 20 L 3.9179 8.0689 117.6750 57.9254 41.7968 179.5358 21 V 3.7971 7.8606 119.7690 65.6497 31.2189 177.8784 22 N 4.6908 8.1240 113.9305 55.2148 38.3371 176.1750 23 A 4.6318 7.4159 120.0665 51.4504 19.3697 177.3607 24 G 3.7547 8.4288 106.6724 46.0401 0.0000 173.9906 25 I 4.1451 7.9568 121.9709 59.6834 36.9755 175.2870 26 V 4.0824 8.2542 125.3673 60.4621 33.1688 175.3389 27 G 4.0941 9.2290 114.5904 45.7288 0.0000 172.2418 28 M 4.8501 8.0221 121.0067 54.4611 34.1006 174.0668 29 T 4.7695 8.8852 116.3936 61.8321 72.3127 173.3795 30 V 5.0757 8.3467 123.8636 61.3351 34.9273 174.3517 31 S 4.7678 8.9990 120.1177 56.7245 67.1066 172.1362 32 E 4.8108 8.6619 121.5958 55.8054 30.5036 175.4790 33 V 4.6614 8.8404 118.6867 60.0751 36.9519 173.9742 34 R 5.1449 8.4702 119.6585 54.9779 33.0140 175.6120 35 G 4.5670 9.4345 108.9935 45.7192 0.0000 171.1659 36 F 5.2721 8.1089 113.9172 55.4578 41.0838 174.5038 37 G 4.3621 8.4980 108.2157 44.6726 0.0000 174.4706 38 R 3.9349 8.9407 118.3309 59.4111 30.5365 177.3135 39 Q 4.3056 8.1462 114.2391 55.1718 29.2548 176.0070 40 K 3.4988 9.0815 117.2881 57.4693 29.9248 177.0345 41 G 4.0860 8.4350 103.4888 46.6502 0.0000 173.6483 42 Q 4.6450 7.8230 118.6255 54.2341 29.9004 175.8178 43 T 4.3285 8.1202 112.9452 62.0747 69.8914 175.0818 44 E 4.3341 7.9138 123.7923 56.0012 30.7272 177.2866 45 R 4.0095 8.8420 122.3010 59.8463 29.5573 178.0998 *46 Y 4.4688 7.5348 115.8835 54.7249 38.5896 176.9099 *52 T 4.1106 8.2292 118.9098 60.8050 68.3885 173.3106 53 V 4.2826 7.9330 125.9285 59.8662 34.1473 174.3454 54 E 4.7041 8.4359 122.8540 54.3947 33.6739 174.5775 55 F 5.3103 8.8926 120.4052 56.1833 41.1397 175.2042 56 L 4.9563 9.1062 122.3307 52.6388 45.1439 175.5756 57 Q 4.6331 8.6832 122.8608 56.4296 29.7042 175.2029 58 K 4.8585 9.2501 124.7189 54.7655 37.3184 174.6741 59 L 5.0979 8.5179 120.5345 52.9551 44.7942 175.7793 60 K 4.8901 9.0786 124.6836 54.8092 34.4582 174.5622 61 L 5.0293 9.0839 128.4281 53.3725 43.7823 175.4007 62 E 5.2645 9.4471 123.2548 54.6378 32.9706 175.2123 63 I 4.7795 8.9129 124.3561 59.6894 41.3828 174.1319 64 V 4.8141 8.5087 127.0559 61.4224 33.0409 175.0443 65 V 4.6537 8.6476 119.6912 59.4558 36.8211 174.6741 66 E 4.3345 9.2875 121.6482 56.3314 30.3523 178.1156 67 D 4.3973 9.0318 121.8882 58.0368 40.6636 179.7231 68 A 4.0829 7.9375 118.6879 54.6909 18.7515 178.7273 69 Q 4.1889 8.1781 115.7317 57.0576 28.9669 178.0650 70 V 3.5694 7.6009 120.1183 66.4704 31.4945 177.6978 71 D 4.3496 8.0461 117.7296 57.4709 40.7200 178.8199 72 T 3.8303 7.8314 115.9418 66.5385 68.5428 176.5323 73 V 3.5595 7.7932 120.0518 66.0359 31.4610 178.0718 74 I 3.6579 7.8816 119.4450 64.6266 37.0031 178.0276 75 D 4.3456 8.2147 119.6961 57.5228 40.6527 179.2853 76 K 4.0063 8.0138 118.7332 59.3807 31.9498 179.6257 77 I 3.7063 7.8798 120.2024 64.1713 37.0378 178.6099 78 V 3.4937 8.0027 119.0835 66.0084 31.1727 177.9017 79 A 3.9623 7.8773 118.8886 55.1406 18.2685 179.0855 80 A 4.0774 7.9407 117.9903 54.6736 18.7447 179.1338 81 A 4.1005 8.0568 118.3948 52.8355 19.1475 177.9920 82 R 4.0521 7.5178 118.8468 56.6755 30.4115 176.1862 83 T 4.3539 8.8100 114.8519 61.2733 70.1818 175.4772 84 G 3.9751 9.0249 110.7162 45.1235 0.0000 172.8280 85 E 4.7935 7.6805 117.7173 53.4816 32.6779 175.4973 86 I 3.6700 8.1759 114.3480 63.1247 37.6981 176.1839 87 G 4.0092 8.9064 111.0804 45.6283 0.0000 174.0254 88 D 4.2837 7.4874 120.4157 56.2863 40.8713 176.1435 89 G 4.1082 7.0074 103.2120 43.3974 0.0000 171.9572 90 K 4.4485 8.3098 119.7741 54.8622 35.9293 174.7382 91 I 4.7429 7.7728 125.7133 59.3512 40.2575 174.7594 92 F 5.0371 9.3008 125.0193 55.6254 42.2569 174.1321 93 V 5.0443 8.6387 123.0801 61.1901 33.4529 174.6756 94 S 4.9496 8.9891 121.4354 55.7135 66.8284 171.5999 95 P 4.7542 0.0000 0.0000 62.8584 32.2555 175.5665 96 V 4.3555 8.0657 121.0563 61.4854 33.1443 175.4061 97 D 4.5752 8.9993 127.8382 56.9487 41.2969 176.8380 98 Q 4.8188 7.6612 115.3605 54.7837 32.9305 173.5072 99 T 4.7506 9.1143 118.4307 61.7815 71.8639 173.1017 100 I 4.9456 8.2287 125.4296 59.4294 40.6331 174.8250 101 R 4.1861 8.9481 128.1958 55.6000 30.0179 177.2812 102 I 3.7330 8.5826 127.8405 64.4380 37.5306 178.3600 103 R 4.0526 8.1013 119.4023 58.5969 30.0190 176.8231 104 T 4.4060 7.1897 101.8326 60.1535 70.3583 175.0250 105 G 3.8966 8.6351 109.9115 45.7656 0.0000 173.6702 106 E 4.2101 7.7346 119.5006 56.0318 30.0594 176.1793 107 K 5.2099 7.9030 119.1368 55.4870 36.9872 178.8035 108 N 3.8417 8.5489 119.0020 54.0706 38.6401 176.6272 109 A 4.8149 8.7935 127.4018 56.2901 18.0183 179.3278 110 D 4.5579 8.0618 111.5766 55.6216 41.1721 176.9083 111 A 4.4295 8.6664 122.6133 52.7314 19.7352 178.0356 112 I 4.1862 7.8028 117.5320 63.2229 38.8899 176.4875 113 S 4.3577 7.8827 120.2078 58.2284 62.1154 176.1651 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 4.74 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 2 K 8.97 4.83 0.00 1.62 1.65 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.60 7.81 3 K 9.79 4.85 0.00 1.82 1.67 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.42 7.81 4 I 8.94 4.81 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 1.12 0.67 0.90 0.00 0.00 5 E 9.45 5.08 0.00 2.23 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 2.27 2.27 0.00 6 A 9.22 5.08 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 7 I 8.74 4.95 1.85 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 1.36 1.21 0.94 0.00 0.00 8 I 8.66 5.08 1.77 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 1.30 0.70 0.84 0.00 0.00 9 R 8.34 4.26 0.00 1.59 1.86 0.00 3.11 0.00 0.00 3.53 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.62 0.00 10 P 0.00 4.28 0.00 2.26 2.16 0.00 3.68 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.12 0.00 11 F 8.23 4.53 0.00 3.07 3.15 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 12 K 7.83 4.00 0.00 1.58 1.63 0.00 1.53 0.00 0.00 0.96 0.00 0.00 2.64 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.30 1.31 7.81 13 L 7.50 3.88 0.00 1.69 1.68 0.91 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.09 4.33 0.00 2.85 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 15 E 8.07 3.98 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 2.40 2.37 0.00 16 V 7.79 3.51 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 0.96 0.00 0.00 0.89 0.00 0.00 17 K 8.28 3.86 0.00 1.83 1.93 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.49 7.81 18 I 7.82 3.66 1.87 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 0.51 0.91 0.00 0.00 19 A 8.23 4.04 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 3.92 0.00 1.85 1.71 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.86 3.80 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 1.06 0.00 0.00 0.95 0.00 0.00 22 N 8.12 4.69 0.00 2.91 2.87 0.00 0.00 6.97 7.50 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 23 A 7.42 4.63 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 24 G 8.43 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 0.00 0.00 0.00 25 I 7.96 4.15 1.89 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 1.35 1.43 0.91 0.00 0.00 26 V 8.25 4.08 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 0.75 0.00 0.00 0.93 0.00 0.00 27 G 9.23 4.09 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 0.00 0.00 0.00 28 M 8.02 4.85 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 29 T 8.89 4.77 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 8.35 5.08 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 0.88 0.00 0.00 0.93 0.00 0.00 31 S 9.00 4.77 0.00 3.87 3.88 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 32 E 8.66 4.81 0.00 2.01 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 2.27 2.35 0.00 33 V 8.84 4.66 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 0.69 0.00 0.00 1.02 0.00 0.00 34 R 8.47 5.14 0.00 1.45 1.85 0.00 3.46 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.44 0.00 35 G 9.43 4.57 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 0.00 0.00 0.00 36 F 8.11 5.27 0.00 2.98 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 37 G 8.50 4.36 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 0.00 38 R 8.94 3.93 0.00 1.84 2.06 0.00 3.22 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 39 Q 8.15 4.31 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.32 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 40 K 9.08 3.50 0.00 1.85 1.57 0.00 1.64 0.00 0.00 1.51 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.10 1.32 7.81 41 G 8.44 4.09 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 0.00 0.00 0.00 42 Q 7.82 4.65 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 43 T 8.12 4.33 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 1.23 0.00 0.00 44 E 7.91 4.33 0.00 1.95 1.91 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 2.29 2.36 0.00 45 R 8.84 4.01 0.00 1.83 1.85 0.00 3.24 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 *46 Y 7.53 4.47 0.00 2.31 2.10 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 *52 T 8.23 4.11 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 1.16 0.00 0.00 53 V 7.93 4.28 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 0.56 0.00 0.00 -0.44 0.00 0.00 54 E 8.44 4.70 0.00 1.95 1.82 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 2.16 2.15 0.00 55 F 8.89 5.31 0.00 3.01 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 56 L 9.11 4.96 0.00 1.62 1.61 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.68 4.63 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 58 K 9.25 4.86 0.00 1.69 1.81 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.59 7.81 59 L 8.52 5.10 0.00 1.58 1.53 0.92 1.08 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 9.08 4.89 0.00 1.80 1.67 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.43 7.81 61 L 9.08 5.03 0.00 1.61 1.55 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 62 E 9.45 5.26 0.00 1.83 1.82 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 2.23 2.26 0.00 63 I 8.91 4.78 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 0.65 0.91 0.00 0.00 64 V 8.51 4.81 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 8.65 4.65 2.25 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 0.69 0.00 0.00 0.93 0.00 0.00 66 E 9.29 4.33 0.00 1.99 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 2.44 2.43 0.00 67 D 9.03 4.40 0.00 2.68 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 7.94 4.08 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 8.18 4.19 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 70 V 7.60 3.57 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 1.10 0.00 0.00 0.98 0.00 0.00 71 D 8.05 4.35 0.00 2.72 2.69 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 72 T 7.83 3.83 4.36 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 1.20 0.00 0.00 73 V 7.79 3.56 2.20 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 1.02 0.00 0.00 0.94 0.00 0.00 74 I 7.88 3.66 1.97 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 0.54 0.88 0.00 0.00 75 D 8.21 4.35 0.00 2.67 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 76 K 8.01 4.01 0.00 1.90 1.83 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.70 1.61 7.81 77 I 7.88 3.71 1.83 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 1.37 0.94 0.85 0.00 0.00 78 V 8.00 3.49 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 0.98 0.00 0.00 0.92 0.00 0.00 79 A 7.88 3.96 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 7.94 4.08 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 81 A 8.06 4.10 1.27 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 0.00 0.00 0.00 82 R 7.52 4.05 0.00 1.83 1.88 0.00 3.21 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 83 T 8.81 4.35 4.33 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 0.00 0.00 0.00 1.27 0.00 0.00 84 G 9.02 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 0.00 0.00 0.00 85 E 7.68 4.79 0.00 2.08 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 2.23 2.37 0.00 86 I 8.18 3.67 1.89 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 1.36 0.54 0.92 0.00 0.00 87 G 8.91 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 88 D 7.49 4.28 0.00 2.79 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 89 G 7.01 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.31 4.45 0.00 1.66 1.24 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.30 1.02 7.81 91 I 7.77 4.74 1.72 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 1.22 0.63 0.84 0.00 0.00 92 F 9.30 5.04 0.00 2.86 2.78 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 93 V 8.64 5.04 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 8.99 4.95 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 4.75 0.00 2.10 2.09 0.00 3.71 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 8.07 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 0.81 0.00 0.00 0.95 0.00 0.00 97 D 9.00 4.58 0.00 2.71 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 7.66 4.82 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.68 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 99 T 9.11 4.75 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 8.23 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 0.48 0.96 0.00 0.00 101 R 8.95 4.19 0.00 1.87 1.80 0.00 3.27 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 102 I 8.58 3.73 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 1.30 0.68 0.91 0.00 0.00 103 R 8.10 4.05 0.00 1.77 1.96 0.00 3.17 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 104 T 7.19 4.41 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 8.64 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 0.00 0.00 0.00 106 E 7.73 4.21 0.00 2.00 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 2.33 2.28 0.00 107 K 7.90 5.21 0.00 1.68 1.66 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.41 7.81 108 N 8.55 3.84 0.00 2.86 2.13 0.00 0.00 7.08 8.17 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 0.00 109 A 8.79 4.81 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 0.00 110 D 8.06 4.56 0.00 2.80 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 0.00 111 A 8.67 4.43 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 0.00 112 I 7.80 4.19 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 1.27 0.54 0.97 0.00 0.00 113 S 7.88 4.36 0.00 3.67 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 * Residues marked with a * may have inaccurate shift predictions.