NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.1836 8.1844 120.6062 54.5966 43.0419 174.6102 2 N 4.7806 8.6601 117.4409 51.5677 40.6917 172.5861 3 I 3.8996 9.0799 126.2208 61.7481 39.6557 176.0840 4 E 4.4456 7.8387 117.9204 57.9642 29.2840 177.4428 5 R 4.5436 7.7456 115.9749 55.3956 31.6281 174.7192 6 L 4.2226 7.8774 122.4384 54.5740 42.4726 177.2188 7 T 4.4535 8.4858 114.2794 61.2208 70.7839 173.5014 8 T 4.6793 7.7825 114.7497 60.3076 70.1693 172.9212 9 L 4.2315 8.0316 122.5627 54.0772 42.9230 178.2916 10 Q 4.0522 7.9414 121.8495 59.3215 28.8937 177.2520 11 P 4.3336 0.0000 0.0000 65.0878 31.1739 178.9500 12 V 3.2121 6.6474 116.8734 65.6441 31.4256 177.9612 13 W 4.7232 7.7312 118.8905 59.7485 28.7064 177.7022 14 D 4.4238 8.6276 118.6223 57.6068 40.5592 178.6754 15 R 3.9060 7.9230 118.5351 59.5744 30.1562 177.6309 16 Y 4.2163 8.8551 119.9016 61.1562 38.6593 177.9400 17 D 4.5159 8.7929 119.4447 57.0160 40.9047 178.9403 18 T 3.9965 7.6189 117.0830 66.6280 68.1893 176.6241 19 Q 3.9480 8.1798 119.5833 58.9959 28.9604 178.1983 20 I 3.6820 7.7844 120.6950 64.6828 37.2007 177.6839 21 H 4.5425 7.7812 114.3282 56.3012 30.3233 175.3598 22 N 4.9395 7.6887 118.7045 51.7846 38.1031 173.7102 23 Q 4.2047 7.8134 118.9771 55.5298 29.9666 175.9161 24 K 4.6834 8.3159 120.0117 54.6988 35.4216 176.0564 25 D 4.7526 7.9913 118.0122 51.6535 40.9852 173.1295 26 N 4.6545 7.9539 118.0836 52.0523 42.0113 172.8520 27 D 4.9571 8.7092 124.4161 52.6180 42.7042 175.6452 28 N 5.0063 8.3140 124.9890 52.6442 37.9502 173.6122 29 E 3.7498 9.0910 115.0226 58.3781 27.3537 175.5257 30 V 3.7639 7.7310 117.3532 60.3963 32.4783 173.5497 31 P 4.1443 0.0000 0.0000 63.2340 30.6509 175.7348 32 V 4.3066 8.1732 123.5044 61.2096 32.5551 174.3142 33 H 4.7657 8.3241 125.4611 54.4509 32.8675 172.7299 34 Q 4.0910 8.2554 123.3591 55.3165 28.2434 177.0048 35 V 3.8255 8.2506 124.1820 62.5813 30.2954 175.3720 36 S 4.7581 8.1612 121.5369 56.5996 64.2869 174.1827 37 Y 3.6996 8.5204 123.1874 61.0963 38.0569 178.3381 38 T 3.9786 7.9093 116.1141 66.5361 68.5904 176.2914 39 N 4.3675 8.3045 118.6244 55.7906 38.3994 177.3200 40 L 3.6986 7.3588 119.2337 57.8684 41.6566 179.3643 41 A 3.8410 7.6734 119.8483 55.0514 18.3912 179.1667 42 E 3.8820 7.7942 117.0553 60.1893 29.6292 179.6613 43 M 4.1118 7.8786 118.0063 58.1785 32.0177 179.0867 44 V 3.7720 8.2926 119.1205 65.6741 31.1649 178.2696 45 G 3.6303 8.3957 106.1483 47.9538 0.0000 175.5948 46 E 4.0856 7.6371 118.0762 58.8386 29.4517 178.4203 47 M 4.1991 8.1271 119.4285 58.5854 32.2820 178.0145 48 N 4.6829 8.2986 116.9233 56.1608 38.6643 177.0428 49 K 4.2897 7.6309 116.3465 58.3211 32.8767 178.0493 50 L 4.3256 7.5700 119.1687 56.1555 42.3377 177.6468 51 L 4.4908 7.8223 117.7553 55.2271 42.3827 178.3897 52 E 3.9178 8.2637 118.1409 58.9881 29.4598 176.2312 53 P 4.5782 0.0000 0.0000 62.9042 31.2632 175.3045 54 S 4.9423 7.5135 113.9327 57.0294 65.5435 173.3553 55 Q 4.2045 8.2787 117.7068 57.9573 28.9753 177.4757 56 V 3.8590 7.1356 119.0510 62.6593 29.1025 176.0260 57 H 4.6501 8.0296 122.1476 54.3638 28.0551 173.2067 58 L 4.5809 7.8578 120.3956 53.4289 43.5043 176.2180 59 K 4.4293 8.8780 123.5956 54.6154 33.9306 175.3458 60 F 4.9601 8.3030 125.2612 57.0857 39.8139 175.3089 61 E 4.6761 9.3203 123.2695 54.3624 32.6397 174.6564 62 L 4.7196 8.3319 126.1921 53.9764 43.4197 175.1567 63 H 4.9094 8.7222 123.7091 53.8915 32.4687 172.4664 64 D 5.3970 8.8268 122.7626 51.7008 41.4046 176.1460 65 K 4.4109 9.1926 121.1165 56.2556 35.1048 174.2095 66 L 3.8553 8.4904 126.1553 54.7033 41.7973 173.3331 67 N 4.9303 8.2803 119.0930 52.7220 41.5586 173.6909 68 E 4.2670 8.5953 117.4793 55.0562 32.1780 174.6554 69 Y 5.2352 7.4347 118.3413 56.4975 39.6164 173.6836 70 Y 4.7863 8.6727 123.1537 55.1612 41.9816 174.6797 71 V 4.5782 8.3650 120.2123 61.1224 33.2177 174.3322 72 K 4.9985 8.9294 128.7011 55.5964 34.9142 175.7552 73 V 4.1765 9.3563 125.4102 62.0563 32.9059 174.4647 74 I 4.7288 8.2690 129.8874 59.6436 39.2238 174.6829 75 E 4.3756 8.8704 129.4308 55.6566 28.6236 176.7169 76 D 4.5958 8.7983 127.9239 57.4353 41.8297 178.6400 77 S 4.3698 8.3255 112.1256 60.2183 62.2189 174.6208 78 T 4.3720 7.3360 109.5067 60.4323 70.2674 175.1470 79 N 4.3988 8.9278 118.3139 53.4463 36.7215 173.1365 80 E 4.8129 7.3463 116.1206 54.0851 33.4692 175.1360 81 V 4.4569 8.3527 121.0143 62.9864 31.4497 175.5246 82 I 4.2946 8.6333 121.9498 61.5328 39.0299 175.9623 83 R 4.4673 7.6371 122.4607 55.2335 33.5486 173.0103 84 E 4.9912 8.8515 125.4474 54.7167 32.2797 175.2241 85 I 4.6760 8.7475 126.5227 58.5601 39.5829 174.0853 86 P 4.8041 0.0000 0.0000 61.6921 32.0441 175.5901 87 P 4.3369 0.0000 0.0000 65.8097 31.1411 177.7263 88 K 4.5061 8.0496 115.1069 57.3073 33.1212 177.0261 89 R 4.7440 8.4742 117.7171 55.2745 32.1435 177.1140 90 W 4.4959 8.3191 128.7017 60.3814 30.6293 177.7697 91 L 4.1585 8.1729 118.8639 57.7177 41.1061 178.8134 92 D 4.3524 8.1949 117.5572 57.3039 41.3414 177.7778 93 F 4.1395 8.3725 120.9452 61.3258 39.3189 176.1484 94 Y 3.7096 8.1472 119.2655 60.6871 38.4186 178.2520 95 A 3.5467 7.8086 120.9462 54.8462 18.0747 179.1104 96 A 3.8317 8.3013 119.6766 55.8430 18.3418 179.5333 97 M 3.9031 7.5562 115.9917 58.2716 32.2009 178.5660 98 T 3.7115 7.4631 116.2113 66.4689 68.3311 176.2558 99 E 3.8908 8.0118 119.5595 59.3762 29.7678 179.0364 100 F 4.3542 7.8030 119.1831 61.5375 39.4856 177.2851 101 L 4.0443 9.0012 119.9361 57.5587 41.2515 179.5019 102 G 3.6407 8.3977 104.3587 46.7211 0.0000 175.2539 103 L 4.0250 7.3949 120.1535 56.8416 41.6294 178.7706 104 F 4.2098 7.6734 116.5692 58.9669 39.7888 176.9022 105 V 3.7448 7.2678 110.3898 60.6869 32.1348 175.9253 106 D 4.3398 8.4331 121.3506 54.1822 40.7190 177.6697 107 E 4.2421 8.4006 134.1267 55.2555 28.1875 176.5772 108 K 4.6831 7.6571 117.5377 58.1098 39.2169 178.8844 109 K 3.9993 8.1041 115.9076 57.5832 32.0511 178.2191 110 L 3.8893 8.1955 120.1108 58.4336 40.7004 178.2272 111 E 3.5706 7.1184 117.6134 57.6236 27.2038 176.6916 112 H 4.6023 7.6490 117.2725 54.1261 27.6597 172.3635 113 H 4.5029 7.8186 120.7784 55.4821 27.9961 175.7758 114 H 4.6150 8.3500 123.5866 54.7815 27.6074 174.7913 115 H 4.6994 8.4597 124.3735 55.4976 28.2582 173.9421 116 H 4.5649 8.1444 125.7991 55.3422 30.8241 173.6234 *117 H 4.4948 8.1915 119.5847 54.1775 28.6301 173.4554 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 L 8.18 4.18 0.00 1.22 1.50 0.07 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 2 N 8.66 4.78 0.00 2.74 2.73 0.00 0.00 6.77 7.47 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 3 I 9.08 3.90 1.85 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.72 0.88 0.00 0.00 4 E 7.84 4.45 0.00 2.09 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 2.34 2.24 0.00 5 R 7.75 4.54 0.00 1.76 1.90 0.00 3.21 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 6 L 7.88 4.22 0.00 1.18 1.37 0.82 -0.24 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 7 T 8.49 4.45 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 1.27 0.00 0.00 8 T 7.78 4.68 4.27 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 1.26 0.00 0.00 9 L 8.03 4.23 0.00 1.17 0.63 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 7.94 4.05 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.15 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 11 P 0.00 4.33 0.00 1.82 2.11 0.00 3.13 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.19 0.00 12 V 6.65 3.21 1.23 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 0.40 0.00 0.00 -0.05 0.00 0.00 13 W 7.73 4.72 0.00 3.52 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 14 D 8.63 4.42 0.00 2.78 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 15 R 7.92 3.91 0.00 1.96 2.05 0.00 3.16 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 16 Y 8.86 4.22 0.00 3.36 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 17 D 8.79 4.52 0.00 2.91 2.52 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 0.00 0.00 0.00 0.00 18 T 7.62 4.00 4.41 0.00 0.00 0.00 0.00 0.00 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 19 Q 8.18 3.95 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.67 0.00 20 I 7.78 3.68 1.71 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 0.73 -0.36 0.77 0.00 0.00 21 H 7.78 4.54 0.00 3.22 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 N 7.69 4.94 0.00 2.65 2.87 0.00 0.00 7.26 7.16 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 23 Q 7.81 4.20 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.52 6.50 0.00 0.00 0.00 0.00 0.00 2.34 2.61 0.00 24 K 8.32 4.68 0.00 1.70 1.72 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.32 1.53 7.81 25 D 7.99 4.75 0.00 2.56 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 26 N 7.95 4.65 0.00 2.65 2.61 0.00 0.00 7.09 8.48 0.00 0.00 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 D 8.71 4.96 0.00 2.66 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 28 N 8.31 5.01 0.00 2.82 2.83 0.00 0.00 6.30 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 29 E 9.09 3.75 0.00 2.14 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 0.00 2.27 2.26 0.00 30 V 7.73 3.76 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 0.74 0.00 0.00 0.96 0.00 0.00 31 P 0.00 4.14 0.00 2.19 2.21 0.00 3.67 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 32 V 8.17 4.31 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 0.90 0.00 0.00 1.06 0.00 0.00 33 H 8.32 4.77 0.00 3.03 3.09 0.00 5.80 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.26 4.09 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.05 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 35 V 8.25 3.83 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 0.95 0.00 0.00 1.16 0.00 0.00 36 S 8.16 4.76 0.00 3.95 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 37 Y 8.52 3.70 0.00 2.67 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 T 7.91 3.98 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 1.21 0.00 0.00 39 N 8.30 4.37 0.00 3.08 2.89 0.00 0.00 6.96 6.32 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 40 L 7.36 3.70 0.00 1.50 1.33 0.58 0.91 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 41 A 7.67 3.84 1.19 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 0.00 0.00 42 E 7.79 3.88 0.00 2.13 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 0.00 2.55 2.51 0.00 43 M 7.88 4.11 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.66 0.00 44 V 8.29 3.77 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 0.98 0.00 0.00 0.63 0.00 0.00 45 G 8.40 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 0.00 0.00 0.00 46 E 7.64 4.09 0.00 2.27 2.15 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 2.64 2.51 0.00 47 M 8.13 4.20 0.00 2.07 2.32 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.12 0.00 48 N 8.30 4.68 0.00 3.05 2.99 0.00 0.00 7.20 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 49 K 7.63 4.29 0.00 1.93 1.96 0.00 1.49 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.74 7.81 50 L 7.57 4.33 0.00 1.85 1.74 0.87 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.82 4.49 0.00 1.80 1.98 1.19 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.26 3.92 0.00 1.98 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 0.00 2.64 2.31 0.00 53 P 0.00 4.58 0.00 2.20 2.26 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.94 0.00 54 S 7.51 4.94 0.00 4.08 3.80 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 55 Q 8.28 4.20 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 7.72 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 56 V 7.14 3.86 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 0.73 0.00 0.00 0.97 0.00 0.00 57 H 8.03 4.65 0.00 3.13 3.22 0.00 5.66 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.86 4.58 0.00 1.16 1.00 0.99 0.93 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 59 K 8.88 4.43 0.00 1.59 1.73 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.37 7.81 60 F 8.30 4.96 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.32 4.68 0.00 2.00 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 2.23 2.39 0.00 62 L 8.33 4.72 0.00 1.39 1.38 0.72 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.72 4.91 0.00 2.61 2.94 0.00 5.65 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.83 5.40 0.00 2.96 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 65 K 9.19 4.41 0.00 1.94 2.04 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.57 1.48 7.81 66 L 8.49 3.86 0.00 1.81 1.62 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 67 N 8.28 4.93 0.00 2.65 2.73 0.00 0.00 6.73 7.62 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 68 E 8.60 4.27 0.00 1.98 1.75 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 2.19 2.31 0.00 69 Y 7.43 5.24 0.00 2.93 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 70 Y 8.67 4.79 0.00 3.18 3.07 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 71 V 8.36 4.58 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 0.84 0.00 0.00 -0.02 0.00 0.00 72 K 8.93 5.00 0.00 1.96 2.20 0.00 1.32 0.00 0.00 1.60 0.00 0.00 3.13 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.40 1.40 7.81 73 V 9.36 4.18 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 0.83 0.00 0.00 1.19 0.00 0.00 74 I 8.27 4.73 1.97 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 1.11 0.43 0.93 0.00 0.00 75 E 8.87 4.38 0.00 2.08 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 0.00 2.31 2.28 0.00 76 D 8.80 4.60 0.00 2.90 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 77 S 8.33 4.37 0.00 4.03 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 78 T 7.34 4.37 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 1.24 0.00 0.00 79 N 8.93 4.40 0.00 2.86 3.00 0.00 0.00 6.88 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 80 E 7.35 4.81 0.00 2.12 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 2.16 2.20 0.00 81 V 8.35 4.46 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 0.92 0.00 0.00 0.95 0.00 0.00 82 I 8.63 4.29 1.85 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.84 0.97 0.00 0.00 83 R 7.64 4.47 0.00 1.77 1.79 0.00 2.84 0.00 0.00 2.51 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.56 0.00 84 E 8.85 4.99 0.00 1.76 1.72 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 2.36 2.32 0.00 85 I 8.75 4.68 2.25 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.59 1.29 0.00 0.00 86 P 0.00 4.80 0.00 2.25 2.15 0.00 3.84 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.96 0.00 87 P 0.00 4.34 0.00 2.27 2.51 0.00 3.73 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.88 0.00 88 K 8.05 4.51 0.00 1.93 1.98 0.00 1.51 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.50 7.81 89 R 8.47 4.74 0.00 2.07 2.16 0.00 3.24 0.00 0.00 3.11 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 90 W 8.32 4.50 0.00 3.56 3.31 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 91 L 8.17 4.16 0.00 1.84 1.95 1.13 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.19 4.35 0.00 2.89 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 93 F 8.37 4.14 0.00 3.15 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 94 Y 8.15 3.71 0.00 2.57 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 95 A 7.81 3.55 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 96 A 8.30 3.83 1.33 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 0.00 0.00 0.00 97 M 7.56 3.90 0.00 1.52 1.16 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 2.43 2.45 0.00 98 T 7.46 3.71 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 1.07 0.00 0.00 99 E 8.01 3.89 0.00 1.86 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 2.32 2.33 0.00 100 F 7.80 4.35 0.00 3.06 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 0.00 101 L 9.00 4.04 0.00 1.63 1.65 0.91 0.78 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 0.00 102 G 8.40 3.64 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 0.00 0.00 0.00 103 L 7.39 4.02 0.00 1.46 1.34 0.83 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 104 F 7.67 4.21 0.00 2.95 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 0.00 105 V 7.27 3.74 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 0.56 0.00 0.00 0.97 0.00 0.00 106 D 8.43 4.34 0.00 2.74 2.57 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 0.00 107 E 8.40 4.24 0.00 1.93 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 2.28 2.32 0.00 108 K 7.66 4.68 0.00 1.96 1.74 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.48 7.81 109 K 8.10 4.00 0.00 1.88 1.85 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.49 7.81 110 L 8.20 3.89 0.00 1.76 1.87 1.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 111 E 7.12 3.57 0.00 1.92 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 0.00 2.32 2.41 0.00 112 H 7.65 4.60 0.00 3.35 3.29 0.00 5.57 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 H 7.82 4.50 0.00 3.27 3.40 0.00 5.51 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 H 8.35 4.62 0.00 3.23 3.33 0.00 5.71 0.00 0.00 0.00 0.00 6.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 H 8.46 4.70 0.00 3.14 3.31 0.00 5.75 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.14 4.56 0.00 3.08 3.14 0.00 6.01 0.00 0.00 0.00 0.00 6.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *117 H 8.19 4.49 0.00 2.96 3.11 0.00 5.92 0.00 0.00 0.00 0.00 6.91 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.