NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3587 8.3193 115.2780 58.2521 62.3717 172.8865 3 H 4.2504 8.4034 122.4559 53.9708 29.4802 174.3649 4 L 4.0028 8.2798 121.9509 54.5726 43.1418 177.9519 5 R 3.8454 8.0159 122.7954 55.4995 30.8582 175.7184 6 I 2.9300 7.2623 125.8472 59.0476 38.1273 174.0969 7 P 4.1396 0.0000 0.0000 62.4687 31.7259 177.5338 8 K 3.9386 8.6386 121.3237 59.4444 32.0873 177.9735 9 N 4.6523 8.2322 114.2845 54.3548 37.8642 175.3451 10 W 4.7189 8.2603 119.0506 57.3403 30.0353 175.6252 11 T 5.0155 9.1373 117.3069 61.9630 72.9358 173.2887 12 I 3.7804 7.6851 124.7455 61.3469 37.1384 175.9601 13 Q 4.2334 9.1096 126.9692 57.7412 29.6520 176.1279 14 R 4.7918 7.5191 115.8239 55.0102 33.8402 173.8722 15 S 5.2732 8.5348 119.5408 56.9863 66.5507 173.7225 16 T 4.5372 8.7369 114.4451 60.0441 70.4746 172.9413 17 P 4.2343 0.0000 0.0000 61.9208 33.0440 175.5033 18 F 4.4029 8.0584 117.8331 57.7162 39.5998 175.2868 19 F 5.2561 8.9633 119.9883 56.4110 43.2364 174.0022 20 T 5.5455 8.3792 115.3999 61.5623 73.5358 175.0950 21 K 4.3694 8.8855 118.4420 57.9595 31.7347 177.4239 22 D 4.7501 8.2345 120.1746 55.4634 41.8820 176.9822 23 N 5.0915 7.8481 115.0482 52.1922 37.8270 174.3277 24 V 3.4752 7.8928 118.4161 61.0742 32.7015 174.0135 25 P 4.1845 0.0000 0.0000 62.3584 31.6947 177.1176 26 E 4.0066 8.8380 122.7793 58.8513 29.4014 178.7613 27 A 4.0619 7.9235 120.4354 55.0417 18.4486 179.0794 28 L 3.7432 7.7884 117.1951 56.9600 41.6134 178.7871 29 L 4.5108 7.7287 116.8896 55.5611 41.8849 175.8272 30 T 4.8652 7.1194 107.3603 59.2752 72.3329 173.2541 31 H 4.5477 8.9611 118.1478 57.3397 28.9520 174.7807 32 H 5.1927 9.1835 117.2424 54.8902 32.2669 172.1116 33 N 5.3127 8.0984 116.0486 51.2430 41.1679 173.2882 34 T 4.8291 8.2986 108.7616 60.6318 71.3317 174.2001 35 A 4.5374 8.5470 125.2688 51.3617 20.1125 177.1214 36 V 3.7363 8.2695 118.4501 63.5177 31.6350 176.0083 37 D 4.5182 9.0520 119.9960 54.8782 38.4024 172.6909 38 V 5.0376 7.8229 119.0504 61.2912 33.4305 174.5602 39 F 4.7714 9.7811 131.5586 57.0278 40.9006 174.8905 40 G 4.3506 9.4056 114.2221 45.5230 0.0000 172.4954 41 Q 4.9308 8.8583 123.3760 54.3721 32.4398 174.1857 42 I 4.8058 9.2147 129.5318 60.3360 38.7560 174.6431 43 C 5.0456 8.6621 126.4062 58.6520 29.6474 174.2419 44 V 4.5558 8.6252 124.3595 61.7071 33.7403 174.0715 *46 E 4.1094 8.4862 123.2113 57.0340 30.7452 176.6380 47 G 3.8177 8.5806 110.9286 45.5853 0.0000 172.1215 48 V 4.7565 8.1691 119.3559 61.0931 35.3913 175.8212 49 V 4.7229 8.6809 126.8797 61.4514 34.2429 174.0706 50 T 4.7068 9.0487 125.3388 62.3803 70.4785 172.9833 51 Y 4.9019 9.1601 128.1078 55.9851 41.3897 173.7013 52 Y 4.9027 8.4342 124.2385 56.1167 40.9395 174.9143 53 G 4.5899 8.8640 111.7114 44.4454 0.0000 172.0868 54 F 5.2734 8.7059 119.9986 55.0371 42.3977 176.5578 55 A 4.2551 9.0575 124.6464 55.2461 18.7732 176.7767 56 N 4.8055 7.6852 108.6801 51.9971 40.3421 175.2436 57 S 2.7900 8.4752 112.7767 60.2574 62.4604 175.0088 58 E 4.2049 7.8483 115.4595 55.2413 29.6869 175.7607 59 A 4.1147 7.7211 123.5028 52.8844 18.9658 177.9391 60 T 4.1755 8.5693 112.2501 62.6018 70.1234 175.0307 61 E 4.7897 7.9259 120.3818 53.2487 31.4416 173.9611 62 P 4.0183 0.0000 0.0000 63.2664 31.8011 175.8383 63 E 4.6541 8.4756 118.2866 56.5088 30.9204 175.6739 64 I 4.5584 7.2130 119.9737 59.8753 41.6993 172.7957 65 K 4.9462 8.6247 129.2055 54.6707 35.0600 175.2479 66 V 4.3881 8.8321 126.7248 61.0861 35.0516 173.9632 67 V 4.3592 8.3947 127.4829 61.5370 32.8427 174.6191 68 I 4.3872 8.6061 129.4638 59.7940 39.4772 175.4282 69 N 5.2007 9.3428 125.0018 51.0564 41.3501 174.4521 70 A 4.3672 7.7518 122.9867 54.1476 18.6690 178.4984 71 G 4.0082 9.1217 110.5012 45.1983 0.0000 173.0331 72 Q 4.8913 7.9170 118.2255 53.9468 32.6025 174.3426 73 F 6.1029 8.2040 113.7664 54.6172 41.4636 173.4155 74 A 4.8398 8.6955 120.1498 50.3744 22.8280 174.8141 75 T 5.3055 8.4523 108.9865 59.8372 71.9245 173.6782 76 S 4.7671 9.0203 118.4861 55.6835 65.6923 171.8891 77 P 2.9700 0.0000 0.0000 60.9753 32.4954 173.9942 78 P 4.5681 0.0000 0.0000 63.8542 31.5143 176.4315 79 Q 3.4164 8.6852 120.1947 56.5779 26.9343 172.4570 80 Y 4.4446 7.6156 119.8620 56.4976 39.4978 175.2840 81 W 4.4068 8.3636 127.5713 57.1246 30.7224 175.1014 82 H 5.3029 9.0908 119.2556 55.6077 31.9513 172.1370 83 R 5.2350 8.8225 113.7525 55.1167 32.5248 174.0239 84 I 5.1199 8.8106 113.2518 59.1699 41.3478 173.7858 85 E 4.8834 9.2233 123.9820 54.5468 32.7645 174.4893 86 L 5.1219 8.6102 125.4599 53.0338 44.6990 176.1832 87 S 4.5831 8.3970 116.4516 57.2749 64.8738 174.9944 88 D 4.4190 8.8768 119.8899 56.8796 40.5782 177.2243 89 D 5.0999 7.8894 116.8466 52.9070 40.4175 176.3609 90 A 4.5648 7.9090 122.3146 52.7557 19.7522 177.1811 91 Q 5.2179 9.2817 124.5726 54.3498 31.6892 174.3103 92 F 5.5024 9.1378 120.8349 56.2297 42.4178 172.1178 93 N 4.9831 9.1127 115.1635 51.9593 41.2581 173.1262 94 I 5.0232 8.7035 118.2066 59.8086 41.8415 174.3871 95 N 5.1148 8.9714 123.3827 51.3869 41.7465 173.6099 96 F 5.3411 8.9775 122.1122 55.9181 41.1948 175.2083 97 W 5.3353 9.4914 124.4867 56.0003 31.7873 175.4058 98 S 5.0297 9.5684 113.8293 58.5111 65.6882 175.0004 99 D 4.4721 6.9787 123.9882 52.7934 39.3952 175.9021 100 Q 4.4403 7.2966 117.0673 54.0299 32.7817 174.2672 101 D 4.5208 8.5654 120.1052 54.5415 41.8890 176.1447 102 K 4.5026 8.9494 124.4063 55.5866 33.2299 176.0269 103 S 4.2214 7.7494 114.8829 60.1996 63.0277 173.2154 104 G 4.1623 9.0029 113.0034 45.5362 0.0000 173.8094 105 K 4.2181 7.3130 117.5647 55.2491 32.9266 176.5029 106 K 4.0181 7.9175 119.5002 55.7011 33.4965 176.2888 *108 F 4.7950 8.1398 113.4194 57.4466 39.1502 174.0769 109 N 5.0611 8.8940 116.6170 51.8507 41.9750 173.5443 110 T 5.1325 8.3499 115.3630 60.1129 71.1928 173.7397 111 K 4.1710 8.8243 122.9221 56.9357 33.2787 174.3895 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 2 S 8.32 4.36 0.00 3.79 3.83 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 0.00 0.00 0.00 3 H 8.40 4.25 0.00 3.26 3.07 0.00 5.58 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.28 4.00 0.00 1.79 1.66 0.86 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.02 3.85 0.00 1.54 1.60 0.00 3.08 0.00 0.00 3.07 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.41 0.00 6 I 7.26 2.93 0.89 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.01 0.00 0.00 7 P 0.00 4.14 0.00 2.15 1.97 0.00 2.20 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.84 0.00 8 K 8.64 3.94 0.00 1.77 1.90 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.40 7.81 9 N 8.23 4.65 0.00 2.93 3.05 0.00 0.00 6.06 8.88 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 10 W 8.26 4.72 0.00 3.33 3.50 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 0.00 0.00 0.00 0.00 11 T 9.14 5.02 4.29 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 1.16 0.00 0.00 12 I 7.69 3.78 1.34 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.58 0.00 0.00 13 Q 9.11 4.23 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.62 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 14 R 7.52 4.79 0.00 1.83 1.80 0.00 3.36 0.00 0.00 3.58 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 15 S 8.53 5.27 0.00 3.63 3.57 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 16 T 8.74 4.54 4.34 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 1.55 0.00 0.00 17 P 0.00 4.23 0.00 1.83 1.94 0.00 3.60 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.90 0.00 18 F 8.06 4.40 0.00 2.85 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 19 F 8.96 5.26 0.00 1.82 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.38 5.55 4.32 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 1.33 0.00 0.00 21 K 8.89 4.37 0.00 1.80 1.90 0.00 1.97 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.65 7.81 22 D 8.23 4.75 0.00 2.67 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 23 N 7.85 5.09 0.00 2.89 2.87 0.00 0.00 6.06 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 24 V 7.89 3.48 2.31 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 0.78 0.00 0.00 0.88 0.00 0.00 25 P 0.00 4.18 0.00 1.89 1.87 0.00 2.50 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.77 0.00 26 E 8.84 4.01 0.00 2.07 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 2.38 2.45 0.00 27 A 7.92 4.06 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 28 L 7.79 3.74 0.00 1.72 1.75 0.95 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.73 4.51 0.00 2.06 1.75 1.06 1.14 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 30 T 7.12 4.87 4.30 0.00 0.00 0.00 0.00 0.00 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 31 H 8.96 4.55 0.00 3.00 3.51 0.00 5.94 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 32 H 9.18 5.19 0.00 3.46 3.44 0.00 5.21 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.10 5.31 0.00 2.19 1.42 0.00 0.00 7.01 6.95 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 34 T 8.30 4.83 4.54 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 1.58 0.00 0.00 35 A 8.55 4.54 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 36 V 8.27 3.74 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 0.76 0.00 0.00 0.96 0.00 0.00 37 D 9.05 4.52 0.00 2.87 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 38 V 7.82 5.04 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 1.17 0.00 0.00 1.09 0.00 0.00 39 F 9.78 4.77 0.00 3.33 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 40 G 9.41 4.35 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 0.00 41 Q 8.86 4.93 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.16 2.10 0.00 42 I 9.21 4.81 1.93 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.57 0.99 0.00 0.00 43 C 8.66 5.05 0.00 3.14 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 44 V 8.63 4.56 2.36 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 1.04 0.00 0.00 1.02 0.00 0.00 *46 E 8.49 4.11 0.00 2.07 1.81 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 2.46 2.32 0.00 47 G 8.58 3.82 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 0.00 0.00 0.00 48 V 8.17 4.76 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 0.97 0.00 0.00 0.93 0.00 0.00 49 V 8.68 4.72 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 0.73 0.00 0.00 0.70 0.00 0.00 50 T 9.05 4.71 4.15 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 0.62 0.00 0.00 51 Y 9.16 4.90 0.00 2.93 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 52 Y 8.43 4.90 0.00 2.77 2.43 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 0.00 53 G 8.86 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.71 5.27 0.00 2.95 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 55 A 9.06 4.26 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 56 N 7.69 4.81 0.00 2.93 2.96 0.00 0.00 6.59 7.21 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 57 S 8.48 2.79 0.00 3.09 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 58 E 7.85 4.20 0.00 1.94 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 2.13 2.16 0.00 59 A 7.72 4.11 1.41 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 0.00 0.00 0.00 60 T 8.57 4.18 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 1.17 0.00 0.00 61 E 7.93 4.79 0.00 2.02 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 2.26 2.27 0.00 62 P 0.00 4.02 0.00 2.02 1.75 0.00 3.67 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.87 0.00 63 E 8.48 4.65 0.00 2.01 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 0.00 2.46 2.35 0.00 64 I 7.21 4.56 1.93 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 1.30 1.39 1.17 0.00 0.00 65 K 8.62 4.95 0.00 1.79 1.61 0.00 1.91 0.00 0.00 1.65 0.00 0.00 2.63 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.15 1.01 7.81 66 V 8.83 4.39 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 0.76 0.00 0.00 0.89 0.00 0.00 67 V 8.39 4.36 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 0.81 0.00 0.00 0.87 0.00 0.00 68 I 8.61 4.39 1.89 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 1.11 0.54 0.87 0.00 0.00 69 N 9.34 5.20 0.00 2.76 2.73 0.00 0.00 6.44 7.35 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 70 A 7.75 4.37 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 71 G 9.12 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 72 Q 7.92 4.89 0.00 2.03 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.17 2.45 0.00 73 F 8.20 6.10 0.00 3.00 2.98 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 74 A 8.70 4.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 8.45 5.31 4.44 0.00 0.00 0.00 0.00 0.00 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 76 S 9.02 4.77 0.00 4.01 4.15 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 77 P 0.00 2.97 0.00 1.81 1.78 0.00 3.57 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 1.85 1.68 0.00 78 P 0.00 4.57 0.00 2.10 2.24 0.00 3.51 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 79 Q 8.69 3.42 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.82 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 80 Y 7.62 4.44 0.00 2.99 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 81 W 8.36 4.41 0.00 3.26 3.12 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 82 H 9.09 5.30 0.00 2.76 3.28 0.00 5.27 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.82 5.23 0.00 1.99 2.14 0.00 2.94 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.80 0.00 84 I 8.81 5.12 1.79 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.96 1.04 0.00 0.00 85 E 9.22 4.88 0.00 2.30 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 2.28 2.35 0.00 86 L 8.61 5.12 0.00 1.60 1.63 0.93 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.40 4.58 0.00 3.96 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 88 D 8.88 4.42 0.00 2.71 2.80 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 89 D 7.89 5.10 0.00 2.66 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 90 A 7.91 4.56 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 9.28 5.22 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.60 0.00 0.00 0.00 0.00 0.00 1.97 2.09 0.00 92 F 9.14 5.50 0.00 3.45 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 93 N 9.11 4.98 0.00 2.69 2.54 0.00 0.00 7.17 7.03 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 94 I 8.70 5.02 1.87 0.00 0.00 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 1.44 1.11 0.34 0.00 0.00 95 N 8.97 5.11 0.00 2.82 2.40 0.00 0.00 6.64 8.19 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 96 F 8.98 5.34 0.00 3.15 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 97 W 9.49 5.34 0.00 3.60 3.54 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 98 S 9.57 5.03 0.00 3.96 3.72 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 0.00 0.00 0.00 99 D 6.98 4.47 0.00 2.27 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 0.00 100 Q 7.30 4.44 0.00 1.91 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.04 2.30 0.00 101 D 8.57 4.52 0.00 2.58 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 0.00 102 K 8.95 4.50 0.00 1.94 1.74 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.49 7.81 103 S 7.75 4.22 0.00 3.90 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 0.00 104 G 9.00 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 0.00 0.00 0.00 105 K 7.31 4.22 0.00 1.89 1.73 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.76 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.38 7.81 106 K 7.92 4.02 0.00 1.62 1.57 0.00 1.50 0.00 0.00 1.37 0.00 0.00 2.84 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.29 1.20 7.81 *108 F 8.14 4.79 0.00 3.26 3.13 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 0.00 0.00 0.00 0.00 109 N 8.89 5.06 0.00 2.78 2.77 0.00 0.00 6.69 6.57 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 0.00 110 T 8.35 5.13 4.45 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 0.00 0.00 0.00 1.30 0.00 0.00 111 K 8.82 4.17 0.00 1.94 1.79 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.39 7.81 * Residues marked with a * may have inaccurate shift predictions.