NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3385 8.1593 117.3754 62.3205 69.9254 173.2453 2 P 4.2236 0.0000 0.0000 63.1386 31.4549 174.8062 3 Q 4.4871 8.1851 117.5030 55.7851 30.6952 175.8551 4 N 4.7335 7.3069 114.5837 51.7364 39.7893 175.2171 5 I 3.7235 8.2530 118.6448 64.2779 38.3787 177.2371 6 T 4.0243 8.0048 116.1963 66.6926 68.5177 175.3525 7 D 4.4732 8.7446 120.5998 57.2954 41.0662 178.5034 8 L 4.1170 7.9725 119.4866 55.2539 41.1798 178.2101 *10 A 4.3435 7.9888 120.8525 51.5426 20.2121 178.3955 11 E 4.0907 8.0750 113.6945 57.6083 29.7650 176.3526 12 Y 4.7334 7.5226 116.0048 56.0035 40.9173 174.9383 13 H 4.5120 8.9164 122.2401 56.8097 30.9811 174.0185 14 N 4.2580 8.5849 118.1588 54.9788 36.0276 173.6917 15 T 5.7234 7.9935 105.2032 59.5053 72.2959 172.8529 16 Q 4.6007 8.1003 118.1178 55.2495 32.1011 172.9720 17 I 4.6198 8.1508 121.0208 60.7136 38.6576 174.8377 18 H 4.8782 9.0127 123.7029 54.3369 31.4280 173.5495 19 T 4.6428 8.4575 119.4058 62.4915 69.2647 173.8864 20 L 4.0419 8.9468 127.2503 55.5804 42.8292 178.0005 21 N 4.1758 7.8326 114.2618 53.3381 36.3241 172.7604 22 D 4.6374 7.8762 114.8786 52.8075 44.9970 174.4195 23 K 4.9322 8.3548 122.0331 55.7051 33.5641 176.6699 24 I 3.3688 8.0998 120.9048 61.2710 37.7378 176.1452 25 F 4.6017 8.8629 128.6858 60.5928 40.0021 175.6960 26 S 4.4459 7.7961 109.8309 56.6401 66.8533 172.4402 27 Y 4.8443 7.7154 121.3325 56.1307 41.2013 174.4036 28 T 4.6119 8.2215 123.3910 61.5507 72.1255 172.9115 29 E 4.9832 8.4144 121.8970 54.7972 33.2780 174.3486 30 S 4.7949 8.8297 115.4155 56.4451 65.9746 174.1195 31 L 4.5694 8.5237 124.0103 55.1447 41.0989 176.3759 32 A 4.0960 7.9240 123.9843 51.7548 18.8801 177.7254 33 G 3.9186 8.4772 110.9561 47.1349 0.0000 173.9777 34 K 4.0957 8.8697 121.4225 56.8249 30.5046 176.4254 35 R 4.7003 7.9827 117.7880 55.8414 31.0831 176.7367 36 E 5.0363 8.3365 118.9080 55.0926 29.2368 176.1104 37 M 5.0891 8.0535 120.7284 53.8115 35.6590 173.3725 38 A 5.0695 8.4518 118.6172 50.1523 22.8830 175.2284 39 I 5.0911 8.4729 120.6764 59.4101 41.3232 174.7135 40 I 5.1549 9.1125 119.5981 59.3229 41.1270 174.2751 41 T 5.2971 8.6179 112.6098 60.2405 72.7222 172.3602 42 F 5.3244 8.8516 120.2597 55.1640 42.3454 177.0249 43 K 3.5031 9.0453 119.1755 59.2257 32.4953 177.5266 44 N 4.4972 8.1943 115.5384 53.2015 37.5013 175.8358 45 G 3.8502 8.2856 108.4063 44.9091 0.0000 173.9558 46 A 4.0150 8.3888 122.8293 52.4307 19.4331 176.7410 47 T 5.0287 7.7704 117.8687 61.6932 71.9879 173.4740 48 F 5.3072 9.3696 123.8142 55.7213 43.4069 173.7301 49 Q 5.1368 9.2072 118.8209 54.5050 31.8616 174.5705 50 V 4.5019 8.5213 121.1799 61.4097 32.6490 175.3738 51 E 4.4904 8.8190 127.4406 55.5289 30.3660 177.1815 52 V 3.9161 8.2626 121.8414 62.3331 32.3504 174.1956 53 P 4.3005 0.0000 0.0000 62.9344 31.8680 175.8527 54 G 4.1809 8.5136 110.5170 44.1964 0.0000 172.6467 55 S 4.3088 8.5192 112.5686 59.7926 63.2049 175.0899 56 Q 4.0242 7.8196 118.4329 57.9077 28.9041 175.4846 57 H 4.9922 7.7519 116.8725 54.2278 30.3591 174.9908 58 I 4.2472 8.5566 117.2101 59.8820 39.1851 176.5471 59 D 4.3984 8.8250 121.2608 57.8342 40.9072 179.4472 60 S 4.2208 8.1223 113.7444 61.3580 62.8041 176.0878 61 Q 3.9343 8.2568 121.2765 57.8030 28.5488 178.3480 62 K 3.9448 7.9820 120.5510 59.3098 32.0699 179.2856 63 K 4.0039 8.0457 118.3706 60.0169 32.4502 178.8891 64 A 4.0131 7.4607 120.4721 54.6311 18.2628 179.7094 65 I 3.6631 8.1364 119.0232 64.6407 37.1941 178.4259 66 E 3.9776 8.0208 118.9103 59.4490 29.2934 179.4290 67 R 3.9052 8.2518 118.8917 59.5265 30.0292 178.1821 68 M 4.0758 8.4067 118.3743 58.6930 32.2593 178.4013 69 K 4.1109 8.1321 118.5622 59.4838 32.1852 179.0259 70 D 4.3730 8.1509 119.2568 57.7329 40.7204 179.0185 71 T 3.8896 8.3365 116.5530 66.5877 68.3793 176.7691 72 L 4.0694 8.2935 121.2347 57.6684 41.6074 179.4939 73 R 2.9036 7.8199 118.5728 59.2850 29.9605 178.5125 74 I 3.6252 7.7340 118.1194 63.6448 37.9518 177.5825 75 A 3.9519 8.3907 122.3361 55.2406 18.3462 178.8133 76 Y 3.9119 8.2452 118.2772 61.0601 38.6786 178.5963 77 L 3.8023 7.9165 118.4921 57.0437 41.7480 178.5353 78 T 4.2450 7.7222 107.2947 60.5247 69.1902 174.3617 79 E 3.6406 7.6432 118.8730 57.2662 27.6257 174.4158 80 A 4.1643 7.6433 120.2517 51.7593 19.9618 177.8918 81 K 4.2481 8.6878 123.6322 56.4449 33.8088 175.6229 82 V 3.8804 8.8251 128.4384 62.1757 32.5527 175.2736 83 E 4.4416 9.3190 131.1551 57.2169 29.7260 175.8747 84 K 5.0879 8.6068 117.1619 54.4505 37.3115 174.5403 85 L 4.9329 8.5509 121.8080 53.0603 45.0037 175.1543 86 C 4.7002 8.6844 124.5448 58.5312 32.8844 172.7828 87 V 4.8262 8.5578 118.7387 59.2525 36.2482 174.4750 88 W 5.0861 9.3151 123.2230 55.9212 30.3058 176.6029 89 N 4.4968 9.1037 121.9514 52.2675 37.5662 174.9564 90 N 4.9505 8.1967 114.8289 52.7274 37.5052 174.4899 91 K 4.7670 7.8230 117.2025 55.2064 36.0883 175.1763 92 T 4.9075 8.2262 110.8186 58.9739 71.1720 172.1555 93 P 4.4446 0.0000 0.0000 62.5612 32.4268 175.7546 94 H 4.7638 9.1176 117.8706 56.1148 30.1758 173.9288 95 A 5.2566 8.9305 123.8773 50.3857 21.0300 176.4046 96 I 4.1893 9.1583 124.8041 61.6302 37.1528 175.7354 97 A 4.4239 8.7477 128.6609 53.1301 20.6527 176.5030 98 A 4.5722 7.2612 114.1248 50.9468 22.8638 175.1679 99 I 5.0356 8.1863 118.8951 59.1414 41.3136 174.5753 100 S 4.8783 9.0633 122.9782 56.7428 65.9957 172.6213 101 M 5.2052 8.4311 121.1247 53.7708 34.5796 174.7256 102 A 4.6598 8.1288 122.0991 50.4912 23.0201 176.1076 103 N 4.4239 8.7762 116.2456 53.2999 37.2561 175.0132 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 T 8.16 4.34 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 2 P 0.00 4.22 0.00 2.27 2.07 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 3 Q 8.19 4.49 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 4 N 7.31 4.73 0.00 2.88 2.87 0.00 0.00 5.85 7.84 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 5 I 8.25 3.72 1.83 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 1.34 0.75 0.87 0.00 0.00 6 T 8.00 4.02 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 1.19 0.00 0.00 7 D 8.74 4.47 0.00 2.82 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 8 L 7.97 4.12 0.00 1.82 1.78 0.94 1.11 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 *10 A 7.99 4.34 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 11 E 8.08 4.09 0.00 1.79 1.62 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 2.27 2.54 0.00 12 Y 7.52 4.73 0.00 2.93 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 13 H 8.92 4.51 0.00 3.19 3.33 0.00 5.88 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 14 N 8.58 4.26 0.00 3.20 3.01 0.00 0.00 6.41 7.05 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 15 T 7.99 5.72 4.08 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 0.00 0.00 0.00 0.86 0.00 0.00 16 Q 8.10 4.60 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.02 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 17 I 8.15 4.62 1.81 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 1.28 0.80 0.85 0.00 0.00 18 H 9.01 4.88 0.00 2.97 3.16 0.00 5.78 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 19 T 8.46 4.64 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 1.17 0.00 0.00 20 L 8.95 4.04 0.00 1.29 1.25 0.37 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 21 N 7.83 4.18 0.00 2.83 2.81 0.00 0.00 6.47 8.08 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 22 D 7.88 4.64 0.00 2.92 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.35 4.93 0.00 1.94 1.96 0.00 1.20 0.00 0.00 0.61 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.50 1.51 7.81 24 I 8.10 3.37 2.05 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 1.01 0.61 0.96 0.00 0.00 25 F 8.86 4.60 0.00 3.12 3.25 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 26 S 7.80 4.45 0.00 3.68 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 27 Y 7.72 4.84 0.00 2.39 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 0.00 0.00 0.00 0.00 28 T 8.22 4.61 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 1.08 0.00 0.00 29 E 8.41 4.98 0.00 1.87 1.69 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 2.24 2.31 0.00 30 S 8.83 4.79 0.00 3.85 3.71 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 31 L 8.52 4.57 0.00 1.74 1.72 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.92 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 33 G 8.48 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.87 4.10 0.00 2.00 2.01 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.53 7.81 35 R 7.98 4.70 0.00 1.71 1.84 0.00 3.31 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 36 E 8.34 5.04 0.00 1.97 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 2.38 2.30 0.00 37 M 8.05 5.09 0.00 2.03 2.27 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.68 0.00 38 A 8.45 5.07 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 39 I 8.47 5.09 1.74 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.71 0.86 0.00 0.00 40 I 9.11 5.15 1.81 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.63 1.00 0.00 0.00 41 T 8.62 5.30 4.37 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 1.21 0.00 0.00 42 F 8.85 5.32 0.00 3.35 3.11 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 43 K 9.05 3.50 0.00 1.62 1.94 0.00 1.60 0.00 0.00 1.85 0.00 0.00 3.08 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.64 1.43 7.81 44 N 8.19 4.50 0.00 2.85 2.99 0.00 0.00 6.29 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.29 3.85 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 0.00 0.00 0.00 46 A 8.39 4.01 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 47 T 7.77 5.03 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 1.17 0.00 0.00 48 F 9.37 5.31 0.00 3.02 2.94 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 49 Q 9.21 5.14 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 2.61 2.37 0.00 50 V 8.52 4.50 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 1.00 0.00 0.00 1.01 0.00 0.00 51 E 8.82 4.49 0.00 1.97 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 2.51 2.24 0.00 52 V 8.26 3.92 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 0.80 0.00 0.00 1.04 0.00 0.00 53 P 0.00 4.30 0.00 2.08 1.95 0.00 3.69 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 2.02 2.06 0.00 54 G 8.51 4.18 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 0.00 55 S 8.52 4.31 0.00 3.97 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 56 Q 7.82 4.02 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 1.75 1.91 0.00 57 H 7.75 4.99 0.00 3.26 3.24 0.00 5.84 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.56 4.25 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.81 0.93 0.00 0.00 59 D 8.83 4.40 0.00 2.80 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.12 4.22 0.00 4.07 4.16 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 61 Q 8.26 3.93 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.84 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 62 K 7.98 3.94 0.00 1.88 1.86 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.62 1.60 7.81 63 K 8.05 4.00 0.00 1.99 2.08 0.00 1.52 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.62 1.52 7.81 64 A 7.46 4.01 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 65 I 8.14 3.66 2.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.91 0.90 0.00 0.00 66 E 8.02 3.98 0.00 2.14 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 2.54 2.47 0.00 67 R 8.25 3.91 0.00 1.88 2.10 0.00 3.11 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 68 M 8.41 4.08 0.00 2.31 2.14 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 2.66 2.68 0.00 69 K 8.13 4.11 0.00 2.06 1.96 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.16 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.67 7.81 70 D 8.15 4.37 0.00 2.92 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 71 T 8.34 3.89 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 1.23 0.00 0.00 72 L 8.29 4.07 0.00 1.92 1.95 1.06 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.82 2.90 0.00 1.29 1.85 0.00 3.00 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.17 0.00 74 I 7.73 3.63 1.82 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 1.43 1.02 0.98 0.00 0.00 75 A 8.39 3.95 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 76 Y 8.25 3.91 0.00 3.12 3.06 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 77 L 7.92 3.80 0.00 1.58 1.64 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.72 4.24 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 1.19 0.00 0.00 79 E 7.64 3.64 0.00 2.09 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 2.05 2.06 0.00 80 A 7.64 4.16 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 81 K 8.69 4.25 0.00 1.89 1.72 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.61 1.44 7.81 82 V 8.83 3.88 2.41 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 0.88 0.00 0.00 1.15 0.00 0.00 83 E 9.32 4.44 0.00 2.07 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 2.27 2.21 0.00 84 K 8.61 5.09 0.00 1.66 1.54 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 1.33 7.81 85 L 8.55 4.93 0.00 1.08 1.21 0.08 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.68 4.70 0.00 2.85 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 87 V 8.56 4.83 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 0.68 0.00 0.00 1.14 0.00 0.00 88 W 9.32 5.09 0.00 3.35 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 89 N 9.10 4.50 0.00 2.57 2.79 0.00 0.00 6.95 8.65 0.00 0.00 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 N 8.20 4.95 0.00 2.88 2.99 0.00 0.00 5.94 7.13 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 91 K 7.82 4.77 0.00 1.86 1.74 0.00 1.61 0.00 0.00 1.87 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.35 7.81 92 T 8.23 4.91 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 1.25 0.00 0.00 93 P 0.00 4.44 0.00 1.97 2.07 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 94 H 9.12 4.76 0.00 3.34 3.46 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.93 5.26 1.52 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 0.00 0.00 96 I 9.16 4.19 1.96 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 1.12 0.81 0.91 0.00 0.00 97 A 8.75 4.42 -0.04 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 0.00 0.00 98 A 7.26 4.57 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 99 I 8.19 5.04 1.86 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.98 0.91 0.00 0.00 100 S 9.06 4.88 0.00 3.86 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 0.00 101 M 8.43 5.21 0.00 1.89 1.98 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 2.49 2.53 0.00 102 A 8.13 4.66 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 0.00 103 N 8.78 4.42 0.00 2.84 2.83 0.00 0.00 5.93 7.56 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 * Residues marked with a * may have inaccurate shift predictions.