NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4138 8.1627 120.3476 55.0817 33.7040 176.0049 2 V 3.4682 8.1245 121.5015 65.5288 31.4890 175.0239 3 E 4.1233 8.8882 119.3594 59.3177 29.7316 178.3424 4 N 4.3228 8.0873 116.0736 56.4816 38.6154 177.4510 5 S 4.0998 7.8957 115.9685 61.5806 62.7279 176.5527 6 E 3.9113 8.1434 121.2443 59.4341 29.1961 179.5021 7 L 3.9323 7.9835 118.9213 57.7515 41.6210 179.8685 8 R 3.9049 8.1598 118.0749 59.2982 29.8613 179.2061 9 K 3.9931 8.2217 117.0164 58.9071 31.9743 178.0452 10 A 4.5602 7.3577 119.2004 50.9001 18.9017 177.0048 11 G 3.9372 8.2587 106.5595 47.3625 0.0000 173.9542 12 L 4.7110 7.9486 121.3394 52.5099 44.0894 177.8213 13 K 4.0974 8.5610 125.0366 54.4095 32.3223 173.4706 14 V 3.9824 8.2165 122.2003 62.4396 32.0981 176.0365 15 T 4.7751 8.1266 116.5220 58.7645 73.2332 174.4674 16 L 3.9222 8.3956 123.1497 58.1372 42.2009 177.5182 17 P 4.2491 0.0000 0.0000 65.6575 31.3942 178.8508 18 R 4.0213 7.9762 116.6923 59.1465 29.9637 179.3441 19 V 3.6567 8.1371 118.2899 65.9823 31.5838 178.2959 20 K 4.1861 8.2821 118.3755 59.5569 31.7792 179.4906 21 I 3.7634 7.8509 120.1773 64.2686 37.0374 178.2288 22 L 4.0989 8.1502 120.9488 58.3026 41.9966 179.1178 23 Q 4.0321 8.2457 118.2313 58.9241 28.4034 178.1985 24 M 4.0645 7.9596 118.5693 58.6521 32.3714 177.9646 25 L 4.1901 8.0422 118.2916 57.8176 41.8451 178.8298 26 D 4.5739 8.0354 117.9477 56.1659 41.0067 177.1923 27 S 4.3988 7.4888 114.6108 57.4272 63.5526 173.9533 28 A 4.4833 8.2303 128.1903 50.4026 21.1489 175.4573 *30 Q 4.1522 8.2311 116.7834 56.2277 29.6411 176.3035 31 R 4.1109 8.7197 122.0091 58.2412 30.5748 176.2450 32 H 4.9072 7.9095 114.5889 54.0164 29.1109 172.1253 33 M 4.6973 8.1635 123.1828 54.1350 33.6109 176.6935 34 S 5.2843 9.2959 119.4626 56.7381 65.9099 175.3484 35 A 4.0681 8.8024 123.1824 55.4918 18.0640 179.7002 36 E 4.0490 8.2605 116.5986 59.5887 29.5801 179.0646 37 D 4.4216 8.4140 119.0887 57.3024 40.8235 179.0262 38 V 3.5860 7.9433 118.6368 66.1586 31.5876 177.2074 39 Y 4.1346 8.2618 119.4196 60.8741 38.5147 178.4332 40 K 3.7350 8.7714 119.2537 59.2847 32.1736 179.1721 41 A 3.9574 8.1416 121.0623 55.2087 18.2232 179.6960 42 L 3.9160 8.1865 117.8131 58.2109 41.4416 179.7264 43 M 3.8727 7.9257 118.1168 58.0842 32.0568 178.0367 44 E 4.0608 8.4026 119.6666 59.1298 29.5363 178.5818 45 A 4.5365 7.8299 116.9945 51.6619 18.2363 177.2368 46 G 3.9297 7.7621 106.2087 47.6946 0.0000 174.3807 47 E 4.2586 8.1256 118.9443 55.8008 30.6964 176.2018 48 D 4.9422 8.2656 116.4784 53.8934 41.1967 176.0610 49 V 4.3409 7.5191 118.3547 60.6845 34.1421 175.7329 50 G 3.9659 8.5046 113.6928 44.0468 0.0000 173.7198 51 L 3.6861 8.1050 122.2309 58.0418 41.9705 179.2169 52 A 3.9838 7.8572 119.9997 55.5526 18.2103 179.6239 53 T 3.8194 7.7986 113.8130 66.5071 68.5375 177.0202 54 V 3.4633 7.7590 120.2695 66.1234 31.5813 177.4623 55 Y 3.7876 8.2321 119.5147 60.5815 38.5570 178.1329 56 R 3.7397 8.0846 118.9793 59.2759 30.1764 179.2142 57 V 3.3481 7.7309 118.1256 65.9110 31.4509 178.0383 58 L 3.5167 7.4247 118.6741 57.8497 41.2305 179.7008 59 T 3.8524 7.3304 115.7161 66.3222 68.3015 176.9800 60 Q 3.9879 7.9281 120.3187 59.0347 28.7651 178.7487 61 F 4.5110 8.4239 119.2856 60.4532 39.0044 177.4474 62 E 4.5651 8.6807 120.1912 58.9321 29.3243 178.7336 63 A 4.0246 7.9361 119.2518 55.0972 18.5208 179.1086 64 A 4.1522 7.9025 117.9091 53.4349 18.6223 178.6387 65 G 3.9589 7.7956 104.8624 45.1982 0.0000 174.6471 66 L 4.0888 8.0449 120.5622 56.8399 42.2152 176.9922 67 V 5.0018 7.5403 109.8633 59.5146 36.6091 174.5718 68 V 4.6056 8.7127 121.6446 61.1653 34.3644 174.0868 69 R 4.6789 8.3466 126.6985 54.8915 31.8809 174.6650 70 H 4.6564 8.5801 121.9398 53.8876 33.3822 172.3062 71 N 4.8776 8.0756 118.2826 52.1535 39.8573 173.5392 72 F 4.7834 8.5515 125.4086 58.8979 39.7348 176.7490 73 D 4.8141 8.3242 116.9745 52.6790 39.8067 176.3040 74 G 4.1110 8.8403 109.8051 45.2915 0.0000 174.7703 75 G 4.0632 8.4679 106.3212 45.5602 0.0000 172.9239 76 H 4.8824 7.8566 113.4159 53.8663 31.4174 172.4042 77 A 4.4633 8.4795 122.6295 51.1089 20.5800 176.2135 78 V 4.6065 8.5463 121.5078 61.0669 34.4727 174.3694 79 F 5.3963 9.5437 125.9407 55.6852 41.5967 174.4603 80 E 4.9312 9.1025 120.2744 54.2293 33.3132 174.9651 81 L 4.4895 8.7349 120.4377 55.5369 41.8157 176.9895 82 A 4.3857 8.6992 124.4736 54.1459 19.8198 179.4442 83 D 4.2579 8.2627 114.4746 56.3850 39.2046 177.4906 84 S 4.2603 7.3040 112.8602 57.5167 63.3975 174.1631 85 G 3.8621 8.4547 109.8683 45.9112 0.0000 172.9959 86 H 4.3314 8.6229 122.7535 57.1829 30.5882 175.0262 *87 H 4.6195 7.8759 121.7968 54.2960 32.0068 172.6795 88 D 4.7593 8.2191 123.0794 52.2950 44.2043 174.6933 89 H 5.2985 8.4212 113.9057 54.9554 33.4976 172.7251 90 M 5.0037 9.5254 122.1264 53.6596 34.6991 175.1222 91 V 4.5630 8.4669 122.8492 61.0830 35.0025 174.1797 92 C 4.8076 9.2517 126.5936 59.4947 28.1458 174.8280 93 V 3.7870 8.6011 119.2206 64.6220 31.1233 178.1000 94 D 4.5210 8.3293 119.3720 56.3132 41.0350 177.0279 95 T 4.3229 8.0591 106.8607 60.8349 70.3663 175.4624 96 G 3.9647 8.7517 110.0731 44.7776 0.0000 173.1419 97 E 4.0382 8.0665 122.1421 56.3640 30.7229 175.5175 98 V 4.5736 8.3030 126.2783 61.0804 33.7344 174.5191 99 I 4.5121 8.8153 128.5768 59.4602 39.7318 174.9717 100 E 4.7215 8.8834 127.0987 56.3512 30.5715 175.9721 101 F 4.9698 8.3715 116.4136 56.3010 42.1382 173.1544 102 M 4.6511 8.6018 119.3446 54.6394 34.7738 173.4198 103 D 4.8658 8.8164 126.5336 52.2198 42.7624 176.4032 104 A 4.0721 8.6694 129.6347 55.0654 18.2824 178.6494 105 E 3.8844 8.1345 117.4975 59.6122 29.7616 179.0052 106 I 3.7431 7.9285 119.4845 64.3926 37.1521 178.2154 107 E 3.9223 8.2648 119.4423 59.5122 29.2825 179.6819 108 K 4.0540 8.2597 118.4452 59.1934 32.0666 179.4820 109 R 3.9008 8.2436 119.2997 59.3694 30.0295 178.5097 110 Q 3.9821 8.4025 118.2565 59.0279 28.6663 179.0873 111 K 3.9817 7.8622 118.9658 59.3455 32.0523 179.0551 112 E 3.9322 8.3709 119.6199 59.2669 28.0203 178.8296 113 I 3.7088 7.9102 119.9373 64.4910 37.2047 178.6830 114 V 3.8508 7.7628 118.7958 66.1858 31.4324 178.3497 115 R 4.2640 8.3254 119.5828 58.6914 29.7127 178.4194 116 E 4.2260 8.3110 116.3246 57.8151 29.6163 178.1306 117 R 4.4881 7.3755 115.6564 55.5871 30.8670 176.8501 118 G 3.6922 7.9537 107.4122 45.1532 0.0000 173.1231 119 F 4.9300 8.0018 118.4570 55.4330 41.4839 173.9566 120 E 4.7149 8.5808 121.5975 54.2055 31.8031 174.8171 121 L 4.2636 8.4348 127.6049 54.4192 42.4645 176.3810 122 V 3.7844 8.4000 126.5633 65.3141 31.9123 174.6700 123 D 4.4595 7.4326 115.5892 54.4264 43.7028 173.1418 124 H 4.6693 7.9690 114.7354 54.9172 30.5010 172.7018 125 N 4.8955 8.6446 118.1410 51.7466 41.7527 173.0843 126 L 4.8348 8.5643 126.5542 53.3066 45.3006 174.8472 127 V 4.8460 8.5738 125.5453 61.0139 34.4700 174.2268 128 L 4.6546 8.8955 127.9807 53.2129 43.9239 174.9436 129 Y 4.8684 8.5563 122.1526 57.1749 39.2302 175.3275 130 V 4.6899 9.1278 116.7067 59.7694 36.7732 174.2747 131 R 4.9696 8.3995 122.9466 55.0727 32.8729 175.4363 132 K 4.0525 8.8776 129.6305 55.0812 32.2281 177.5410 133 K 3.7326 8.8159 127.9146 56.8234 32.0145 174.9623 134 K 4.2636 7.4028 122.6591 55.1831 31.6189 181.1674 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 4.41 0.00 2.06 2.00 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 2.56 2.72 0.00 2 V 8.12 3.47 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 0.96 0.00 0.00 0.92 0.00 0.00 3 E 8.89 4.12 0.00 2.08 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 2.39 2.43 0.00 4 N 8.09 4.32 0.00 2.97 2.86 0.00 0.00 7.15 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 5 S 7.90 4.10 0.00 3.98 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 6 E 8.14 3.91 0.00 2.09 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 2.56 0.00 7 L 7.98 3.93 0.00 1.83 1.88 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.16 3.90 0.00 1.84 1.96 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 9 K 8.22 3.99 0.00 1.89 1.86 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.50 7.81 10 A 7.36 4.56 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 11 G 8.26 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.95 4.71 0.00 1.77 1.63 1.08 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.56 4.10 0.00 1.77 1.60 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.00 7.81 14 V 8.22 3.98 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 1.03 0.00 0.00 0.93 0.00 0.00 15 T 8.13 4.78 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 1.28 0.00 0.00 16 L 8.40 3.92 0.00 1.78 1.71 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.25 0.00 2.17 2.06 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 18 R 7.98 4.02 0.00 2.13 2.23 0.00 3.30 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 19 V 8.14 3.66 2.23 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 1.05 0.00 0.00 0.98 0.00 0.00 20 K 8.28 4.19 0.00 1.85 1.85 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.49 7.81 21 I 7.85 3.76 1.91 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.70 0.82 0.00 0.00 22 L 8.15 4.10 0.00 2.02 1.84 0.63 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 8.25 4.03 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 24 M 7.96 4.06 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.64 0.00 25 L 8.04 4.19 0.00 1.89 1.78 1.11 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.04 4.57 0.00 2.85 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 27 S 7.49 4.40 0.00 3.91 3.81 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 28 A 8.23 4.48 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 *30 Q 8.23 4.15 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.05 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 31 R 8.72 4.11 0.00 1.59 1.86 0.00 3.16 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 32 H 7.91 4.91 0.00 3.23 3.45 0.00 5.88 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 33 M 8.16 4.70 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.59 0.00 34 S 9.30 5.28 0.00 4.21 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 35 A 8.80 4.07 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 0.00 0.00 36 E 8.26 4.05 0.00 2.09 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 2.41 2.42 0.00 37 D 8.41 4.42 0.00 3.00 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 38 V 7.94 3.59 2.26 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 1.09 0.00 0.00 1.05 0.00 0.00 39 Y 8.26 4.13 0.00 3.09 3.22 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 0.00 0.00 0.00 0.00 40 K 8.77 3.74 0.00 1.99 1.83 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.73 7.81 41 A 8.14 3.96 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 42 L 8.19 3.92 0.00 1.76 1.66 0.93 0.84 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 43 M 7.93 3.87 0.00 1.72 1.89 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.71 0.00 44 E 8.40 4.06 0.00 2.12 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 2.28 2.30 0.00 45 A 7.83 4.54 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 46 G 7.76 3.93 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 0.00 0.00 0.00 47 E 8.13 4.26 0.00 2.05 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 2.47 2.37 0.00 48 D 8.27 4.94 0.00 2.56 2.56 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 49 V 7.52 4.34 2.12 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 0.90 0.00 0.00 0.94 0.00 0.00 50 G 8.50 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 51 L 8.11 3.69 0.00 0.55 1.26 0.73 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.86 3.98 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 53 T 7.80 3.82 4.42 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 1.17 0.00 0.00 54 V 7.76 3.46 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 1.09 0.00 0.00 1.04 0.00 0.00 55 Y 8.23 3.79 0.00 3.04 3.04 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 0.00 0.00 0.00 56 R 8.08 3.74 0.00 1.94 1.89 0.00 3.36 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.80 0.00 57 V 7.73 3.35 1.68 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 0.05 0.00 0.00 0.78 0.00 0.00 58 L 7.42 3.52 0.00 0.79 0.20 0.46 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.33 3.85 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 1.14 0.00 0.00 60 Q 7.93 3.99 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 61 F 8.42 4.51 0.00 3.12 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 62 E 8.68 4.57 0.00 2.35 2.19 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 2.34 2.24 0.00 63 A 7.94 4.02 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 64 A 7.90 4.15 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 65 G 7.80 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 66 L 8.04 4.09 0.00 1.68 1.43 0.35 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 67 V 7.54 5.00 2.39 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 1.01 0.00 0.00 1.19 0.00 0.00 68 V 8.71 4.61 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 0.69 0.00 0.00 0.92 0.00 0.00 69 R 8.35 4.68 0.00 1.53 1.58 0.00 3.30 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.72 0.00 70 H 8.58 4.66 0.00 2.29 1.45 0.00 5.80 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.08 4.88 0.00 2.51 2.58 0.00 0.00 7.03 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 72 F 8.55 4.78 0.00 3.07 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 73 D 8.32 4.81 0.00 2.82 2.85 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 74 G 8.84 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 75 G 8.47 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 0.00 0.00 0.00 76 H 7.86 4.88 0.00 3.26 3.25 0.00 5.52 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.48 4.46 1.09 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 78 V 8.55 4.61 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 1.17 0.00 0.00 1.06 0.00 0.00 79 F 9.54 5.40 0.00 2.88 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 80 E 9.10 4.93 0.00 2.07 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 2.32 2.39 0.00 81 L 8.73 4.49 0.00 1.57 2.02 0.98 0.82 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 82 A 8.70 4.39 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 83 D 8.26 4.26 0.00 2.77 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 84 S 7.30 4.26 0.00 3.83 3.93 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 85 G 8.45 3.86 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 0.00 0.00 0.00 86 H 8.62 4.33 0.00 3.05 3.21 0.00 5.95 0.00 0.00 0.00 0.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *87 H 7.88 4.62 0.00 2.69 2.75 0.00 7.23 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 D 8.22 4.76 0.00 1.58 2.42 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 89 H 8.42 5.30 0.00 2.87 2.67 0.00 5.78 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 M 9.53 5.00 0.00 1.82 2.02 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 91 V 8.47 4.56 1.98 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 0.99 0.00 0.00 0.49 0.00 0.00 92 C 9.25 4.81 0.00 2.96 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 93 V 8.60 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 0.81 0.00 0.00 1.00 0.00 0.00 94 D 8.33 4.52 0.00 2.68 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 95 T 8.06 4.32 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 96 G 8.75 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 97 E 8.07 4.04 0.00 2.09 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 2.28 2.26 0.00 98 V 8.30 4.57 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 0.08 0.00 0.00 0.63 0.00 0.00 99 I 8.82 4.51 1.84 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 1.21 0.85 0.92 0.00 0.00 100 E 8.88 4.72 0.00 1.84 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 2.18 2.38 0.00 101 F 8.37 4.97 0.00 3.03 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 0.00 102 M 8.60 4.65 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 103 D 8.82 4.87 0.00 3.00 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 0.00 104 A 8.67 4.07 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 0.00 105 E 8.13 3.88 0.00 2.11 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 0.00 2.39 2.48 0.00 106 I 7.93 3.74 2.09 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 1.57 0.78 0.97 0.00 0.00 107 E 8.26 3.92 0.00 2.14 1.98 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 2.61 2.53 0.00 108 K 8.26 4.05 0.00 1.90 1.85 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.44 7.81 109 R 8.24 3.90 0.00 2.00 2.07 0.00 3.28 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 110 Q 8.40 3.98 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 111 K 7.86 3.98 0.00 1.98 1.86 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.55 7.81 112 E 8.37 3.93 0.00 2.12 2.12 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 2.42 2.43 0.00 113 I 7.91 3.71 2.06 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 1.43 0.86 0.94 0.00 0.00 114 V 7.76 3.85 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 1.19 0.00 0.00 0.98 0.00 0.00 115 R 8.33 4.26 0.00 1.94 1.98 0.00 3.20 0.00 0.00 3.27 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 116 E 8.31 4.23 0.00 2.01 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 2.35 2.56 0.00 117 R 7.38 4.49 0.00 2.13 2.08 0.00 3.42 0.00 0.00 3.44 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 118 G 7.95 3.69 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 0.00 119 F 8.00 4.93 0.00 3.27 2.90 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 0.00 120 E 8.58 4.71 0.00 1.94 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 2.19 2.27 0.00 121 L 8.43 4.26 0.00 1.64 1.58 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 122 V 8.40 3.78 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 0.82 0.00 0.00 0.94 0.00 0.00 123 D 7.43 4.46 0.00 2.58 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 H 7.97 4.67 0.00 3.25 3.18 0.00 5.52 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 N 8.64 4.90 0.00 2.65 2.71 0.00 0.00 6.70 7.78 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 0.00 126 L 8.56 4.83 0.00 1.84 1.49 1.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 127 V 8.57 4.85 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 0.20 0.00 0.00 1.09 0.00 0.00 128 L 8.90 4.65 0.00 1.49 1.47 0.62 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 129 Y 8.56 4.87 0.00 2.91 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 0.00 130 V 9.13 4.69 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 0.73 0.00 0.00 0.93 0.00 0.00 131 R 8.40 4.97 0.00 1.77 1.73 0.00 3.25 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.73 0.00 132 K 8.88 4.05 0.00 1.72 1.69 0.00 1.85 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 1.01 7.81 133 K 8.82 3.73 0.00 1.77 1.77 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.01 7.81 134 K 7.40 4.26 0.00 1.66 1.60 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.38 1.25 7.81 * Residues marked with a * may have inaccurate shift predictions.