NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.8908 8.3544 109.7386 45.8536 0.0000 174.1854 0 S 4.4538 9.3328 114.8181 57.7938 62.7096 172.0947 2 Q 4.4120 8.1120 119.8443 57.6144 30.4241 176.8473 3 I 3.8317 7.6835 118.5261 63.2429 37.8976 177.2559 4 E 3.9912 8.3257 119.4953 59.6412 29.0266 179.0182 5 K 4.0531 7.7835 117.9851 59.1561 32.6303 177.6418 6 L 4.4130 7.6995 117.9419 54.3672 42.6017 176.7844 7 R 3.8291 7.5331 119.7727 55.9128 30.3568 176.0315 8 G 3.8948 8.2055 111.9165 44.6252 0.0000 172.6590 9 A 3.9273 8.0305 119.8087 55.1215 18.1448 179.7441 10 A 3.8714 7.8375 118.7234 55.2375 18.6183 179.5026 11 L 3.6312 7.7183 118.4067 58.2094 42.1576 178.5600 12 D 4.4407 8.2719 119.1277 57.4313 40.6282 178.5423 13 E 3.9336 8.1044 119.8286 58.9050 29.6477 178.4696 14 L 3.9189 7.7630 120.4518 58.3804 42.0916 179.1373 15 F 4.6637 8.0115 117.5756 60.7292 38.6051 177.3498 16 D 4.3765 8.4826 117.9436 57.3207 41.0214 178.4514 17 A 4.0019 8.1931 121.4094 55.2991 18.5151 179.8033 18 I 3.5045 7.7922 118.2388 64.4114 36.9395 178.6951 19 L 4.1082 7.9229 119.2427 57.4370 41.4913 178.9823 20 T 4.0682 7.4118 108.0628 62.3672 69.2871 175.0555 21 L 4.1002 7.2007 122.6008 54.9764 42.0844 176.5878 22 E 4.5733 9.1487 122.0221 56.7101 31.7091 175.9049 23 N 5.0255 7.6084 114.9878 50.3742 41.6554 175.1178 24 R 4.0078 8.5731 120.0635 59.6586 30.1210 177.9904 25 E 4.1950 8.3533 118.7063 59.2368 29.6442 178.3214 26 E 4.0646 8.9045 119.0127 59.6509 29.4853 179.1176 27 C 4.4420 8.1098 116.2460 63.0660 28.1557 175.6026 28 Y 3.9666 8.2561 118.2774 61.3119 37.5101 178.9577 29 Q 4.0724 8.4907 118.8243 58.9252 28.7653 178.7337 30 F 4.1066 8.6579 121.9746 61.4723 39.4908 177.4048 31 F 3.8038 8.6682 117.7232 60.1506 38.3840 177.2522 32 D 4.3406 8.2264 117.5582 57.3660 41.0766 177.7321 33 D 4.4069 7.7729 118.6409 57.2165 40.8942 178.1552 34 L 3.9254 7.5171 119.9885 56.3016 42.2735 176.3540 35 C 5.0568 7.3953 114.2448 57.2098 32.0541 174.2087 36 T 4.2845 8.5506 112.4928 60.9702 70.6437 175.9939 37 V 3.5829 8.2635 120.6080 66.4453 31.4582 177.7828 38 N 4.3218 8.1264 115.4942 56.2829 38.4510 177.0213 39 E 3.9669 8.1112 119.7864 59.5678 29.5283 179.5450 40 I 3.6414 7.7430 119.7172 64.3437 37.0980 178.2195 41 Q 3.9157 8.3232 120.6847 59.2956 28.8682 178.3705 42 S 4.0739 8.2070 114.0754 61.3682 62.4853 176.1833 43 L 3.9835 7.8824 121.6716 57.7821 41.3498 179.3454 44 S 4.0545 8.2835 113.3940 61.3572 61.9917 175.9837 45 Q 3.9341 8.2965 122.3542 59.2299 28.7980 178.4566 46 R 3.9330 7.9558 119.0455 59.2576 30.0587 178.7985 47 L 4.0240 7.8550 119.5748 58.2022 41.8296 178.9981 48 Q 3.9463 7.8361 117.2006 58.8351 28.7200 178.5825 49 V 3.6864 7.8138 118.1542 65.9824 31.8601 177.5159 50 A 3.8842 7.7469 120.3346 54.8303 17.9601 180.1326 51 K 3.6783 7.9658 114.6543 57.4512 31.9743 178.4417 *53 I 4.0873 7.6617 119.5639 60.9350 38.8830 178.2958 54 K 4.0074 7.8583 117.9599 59.3772 31.8880 178.4109 55 Q 3.9818 8.1322 116.4402 57.0452 28.7781 176.8545 56 G 3.7596 7.9033 106.2855 45.6674 0.0000 173.3701 57 Y 4.2891 7.4798 116.0962 57.1141 38.9629 176.3457 58 T 3.9269 8.2038 113.0091 61.6208 71.1913 175.3582 59 Y 4.3047 7.9957 119.4733 61.0564 37.9370 178.4818 60 A 4.0390 8.1540 121.3720 55.7852 18.4652 179.7110 61 T 3.8436 7.8018 113.5332 66.7158 68.3742 177.1339 62 I 3.6564 7.8770 121.8162 64.1936 36.6483 177.9799 63 E 4.0889 8.6477 119.9183 59.6584 29.1523 179.1951 64 Q 3.8114 7.8228 117.5724 59.4494 29.2274 177.9096 65 E 4.1679 8.0368 117.9441 58.6794 29.8755 178.5945 66 S 4.3258 8.2121 113.1939 59.2499 63.5106 174.2881 67 G 4.0520 7.7725 109.9294 45.1593 0.0000 174.0189 68 A 4.0758 7.8300 120.7466 51.7157 18.9086 178.1738 69 S 4.3247 8.5314 117.5344 58.5597 65.1633 175.5693 70 T 3.8461 8.4277 116.8178 65.1549 67.1665 176.4584 71 A 3.9876 7.9325 122.5385 55.2547 18.3765 179.5683 72 T 3.8259 7.7296 113.8995 66.8874 68.5239 176.8926 73 I 3.6532 7.7484 121.6904 64.4220 37.0951 178.4061 74 S 4.0006 7.9659 113.8748 61.4658 62.2054 176.5179 75 R 3.9808 8.1040 120.7677 59.1486 29.7353 179.2753 76 V 3.6508 8.1220 118.4009 65.8188 31.5708 177.8016 77 K 3.8501 8.4024 119.8847 59.6170 31.8835 178.6017 78 R 4.2960 8.1517 118.7495 59.7995 30.0706 178.6603 79 S 4.2413 8.2566 114.9995 61.5599 62.6106 176.4613 80 L 4.0889 8.2294 122.5179 58.1837 41.9066 178.5234 81 Q 3.8702 7.7116 116.5130 56.8343 28.8469 176.6646 82 W 5.0515 8.1779 116.1437 56.1158 31.5496 176.1647 83 G 4.2126 7.8652 111.1982 46.1086 0.0000 175.0995 84 N 4.6317 8.7824 121.9977 52.4974 38.1918 175.2371 85 D 4.5347 8.0970 116.6335 55.1436 38.5175 175.4284 86 A 4.3090 7.4216 124.7529 54.9967 19.0093 179.5905 87 Y 4.4047 8.0746 113.5329 61.8677 38.0991 180.3495 88 T 4.2507 7.4447 116.0151 63.6245 67.7468 176.3923 *90 I 4.0809 7.8865 117.2489 60.9453 39.8545 177.6045 91 L 4.1258 8.2516 121.1811 57.6747 41.7185 179.1844 92 D 4.4138 8.3313 118.0953 57.4369 40.8537 179.1900 93 R 4.1661 7.1798 117.6038 56.0896 28.9135 176.8380 *95 N 4.5786 8.0919 111.4697 52.9793 40.1369 174.7484 96 I 3.9658 7.5706 119.9585 60.7674 37.3658 175.7728 97 E 4.2675 8.7084 126.3397 55.9885 29.9811 176.9326 98 T 4.1691 8.2448 113.2303 61.8253 69.0146 173.5999 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 G 8.35 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 0.00 0.00 0.00 0 S 9.33 4.45 0.00 3.93 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 2 Q 8.11 4.41 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 3 I 7.68 3.83 1.93 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.97 0.00 0.00 4 E 8.33 3.99 0.00 2.03 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 2.43 2.34 0.00 5 K 7.78 4.05 0.00 1.86 1.96 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.62 1.49 7.81 6 L 7.70 4.41 0.00 1.64 1.72 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 7 R 7.53 3.83 0.00 1.75 1.88 0.00 3.41 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 8 G 8.21 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 0.00 0.00 0.00 9 A 8.03 3.93 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 10 A 7.84 3.87 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 L 7.72 3.63 0.00 1.61 1.54 0.14 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.27 4.44 0.00 2.88 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 13 E 8.10 3.93 0.00 2.13 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 0.00 2.28 2.29 0.00 14 L 7.76 3.92 0.00 1.69 1.47 1.03 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 15 F 8.01 4.66 0.00 3.12 2.92 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 16 D 8.48 4.38 0.00 2.80 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 17 A 8.19 4.00 1.22 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 0.00 0.00 18 I 7.79 3.50 2.15 0.00 0.00 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 1.66 1.30 1.07 0.00 0.00 19 L 7.92 4.11 0.00 1.77 1.73 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.41 4.07 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 1.23 0.00 0.00 21 L 7.20 4.10 0.00 1.80 1.67 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 22 E 9.15 4.57 0.00 2.06 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 2.42 2.35 0.00 23 N 7.61 5.03 0.00 2.98 2.90 0.00 0.00 5.92 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 24 R 8.57 4.01 0.00 1.99 2.08 0.00 3.31 0.00 0.00 3.51 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.84 0.00 25 E 8.35 4.20 0.00 2.16 1.99 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 2.39 2.52 0.00 26 E 8.90 4.06 0.00 2.27 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 2.37 2.56 0.00 27 C 8.11 4.44 0.00 3.31 3.20 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 0.00 28 Y 8.26 3.97 0.00 3.27 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 29 Q 8.49 4.07 0.00 2.37 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.82 0.00 0.00 0.00 0.00 0.00 2.46 2.68 0.00 30 F 8.66 4.11 0.00 3.01 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 31 F 8.67 3.80 0.00 3.16 3.01 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 32 D 8.23 4.34 0.00 2.82 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 33 D 7.77 4.41 0.00 2.68 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.52 3.93 0.00 0.71 1.14 0.75 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 35 C 7.40 5.06 0.00 3.14 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 36 T 8.55 4.28 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 37 V 8.26 3.58 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 1.16 0.00 0.00 0.95 0.00 0.00 38 N 8.13 4.32 0.00 2.77 2.85 0.00 0.00 7.10 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 39 E 8.11 3.97 0.00 2.21 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 2.34 2.36 0.00 40 I 7.74 3.64 1.98 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.77 0.82 0.00 0.00 41 Q 8.32 3.92 0.00 2.21 2.24 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 2.35 2.37 0.00 42 S 8.21 4.07 0.00 4.01 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 43 L 7.88 3.98 0.00 1.80 1.63 0.88 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.28 4.05 0.00 3.81 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 45 Q 8.30 3.93 0.00 2.19 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 46 R 7.96 3.93 0.00 2.14 2.09 0.00 3.24 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 1.69 1.88 0.00 47 L 7.86 4.02 0.00 1.87 1.68 1.09 0.87 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 48 Q 7.84 3.95 0.00 2.23 2.12 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 2.59 2.49 0.00 49 V 7.81 3.69 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 0.79 0.00 0.00 0.99 0.00 0.00 50 A 7.75 3.88 0.48 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 0.00 0.00 0.00 0.00 0.00 0.00 51 K 7.97 3.68 0.00 1.86 1.93 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.63 1.50 7.81 *53 I 7.66 4.09 1.98 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.67 0.92 0.00 0.00 54 K 7.86 4.01 0.00 1.87 1.84 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.49 7.81 55 Q 8.13 3.98 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.07 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 56 G 7.90 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 57 Y 7.48 4.29 0.00 2.98 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 58 T 8.20 3.93 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 1.17 0.00 0.00 59 Y 8.00 4.30 0.00 3.07 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 60 A 8.15 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 61 T 7.80 3.84 4.40 0.00 0.00 0.00 0.00 0.00 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 62 I 7.88 3.66 2.10 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.87 0.94 0.00 0.00 63 E 8.65 4.09 0.00 2.21 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 2.36 2.54 0.00 64 Q 7.82 3.81 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.94 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 65 E 8.04 4.17 0.00 1.90 1.86 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 2.29 2.22 0.00 66 S 8.21 4.33 0.00 3.98 3.95 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 67 G 7.77 4.05 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 0.00 0.00 0.00 68 A 7.83 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 69 S 8.53 4.32 0.00 4.05 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 70 T 8.43 3.85 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 1.20 0.00 0.00 71 A 7.93 3.99 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 72 T 7.73 3.83 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 1.22 0.00 0.00 73 I 7.75 3.65 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.74 0.83 0.00 0.00 74 S 7.97 4.00 0.00 3.83 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 75 R 8.10 3.98 0.00 2.09 2.01 0.00 3.21 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 76 V 8.12 3.65 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 0.80 0.00 0.00 0.97 0.00 0.00 77 K 8.40 3.85 0.00 1.90 2.04 0.00 1.79 0.00 0.00 1.54 0.00 0.00 3.07 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.58 7.81 78 R 8.15 4.30 0.00 2.21 2.16 0.00 3.19 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.89 0.00 79 S 8.26 4.24 0.00 4.36 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 80 L 8.23 4.09 0.00 1.73 1.83 0.91 0.58 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 81 Q 7.71 3.87 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 1.93 2.12 0.00 82 W 8.18 5.05 0.00 3.61 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 83 G 7.87 4.21 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 0.00 84 N 8.78 4.63 0.00 2.71 2.81 0.00 0.00 6.87 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 85 D 8.10 4.53 0.00 2.86 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 86 A 7.42 4.31 1.16 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 0.00 0.00 87 Y 8.07 4.40 0.00 3.01 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 88 T 7.44 4.25 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 1.25 0.00 0.00 *90 I 7.89 4.08 1.87 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.07 0.88 0.00 0.00 91 L 8.25 4.13 0.00 1.79 1.78 0.93 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.33 4.41 0.00 2.70 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 93 R 7.18 4.17 0.00 1.99 1.96 0.00 3.18 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 *95 N 8.09 4.58 0.00 2.74 2.88 0.00 0.00 7.21 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 96 I 7.57 3.97 1.98 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 1.31 0.75 0.92 0.00 0.00 97 E 8.71 4.27 0.00 1.95 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 2.30 2.23 0.00 98 T 8.24 4.17 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 1.20 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.