NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 N 4.6633 8.2833 119.2086 53.2887 39.3843 174.7990 -4 L 4.0342 8.2277 125.9697 56.0506 41.9566 176.4307 -3 Y 4.5672 8.7110 116.2081 58.7155 39.0778 175.0862 -2 F 4.7654 8.3071 121.9062 58.4670 39.5220 174.9809 -1 Q 4.2567 8.9465 127.2388 54.0973 30.7533 176.4371 0 G 3.5099 8.0663 105.6616 45.9292 0.0000 170.9958 -3 P 4.4372 0.0000 0.0000 64.1155 33.3778 176.4862 -2 H 4.8754 8.4271 119.8062 55.7670 28.9220 173.2809 -1 L 4.2567 8.7865 129.2388 53.4973 43.7533 178.0371 0 V 3.6699 7.7663 116.0616 63.0292 28.9169 172.3958 6 I 4.8300 8.7737 129.2717 59.6014 39.5579 174.4154 7 E 4.8749 9.4322 126.2656 54.2709 32.7694 174.8470 8 A 5.0040 8.0999 125.5636 49.7095 22.3649 175.5799 9 T 3.4164 7.9445 112.6176 61.1766 69.2540 175.7157 10 A 3.9607 8.0353 127.0216 54.7646 18.5487 178.3295 11 N 4.6273 7.2484 111.2792 53.3266 38.0273 175.2022 12 L 4.1540 7.6289 122.7189 55.2351 43.0180 175.9920 13 R 4.6654 9.2565 125.3086 54.6008 32.2229 175.3542 14 L 5.1180 8.3572 123.3117 53.1402 43.4924 176.7568 15 E 4.2452 9.4055 121.6491 59.0369 30.0835 176.5118 16 T 4.6200 7.4294 107.4513 59.0909 72.1858 173.6608 17 S 4.3784 8.4496 115.5401 57.3398 65.3924 172.8384 18 P 3.6048 0.0000 0.0000 65.4625 30.8511 179.1050 19 G 3.5502 7.7679 103.7955 47.9540 0.0000 175.4087 20 E 3.9730 8.1561 121.3449 58.7774 29.3390 179.1639 21 L 3.9256 7.9264 120.3817 58.1777 42.0710 178.9932 22 L 4.0148 8.0370 118.8986 57.9025 41.5832 179.3437 23 E 3.9592 8.2167 118.3765 59.5372 29.3204 179.5319 24 Q 3.9874 8.3886 117.9447 58.8482 28.8040 178.4935 25 A 4.0208 8.2777 122.0701 55.4707 18.4084 179.4756 26 N 4.3077 8.5362 114.9277 56.3176 38.4977 177.5592 27 A 4.1068 8.2362 121.9772 55.1060 18.2862 179.4566 28 A 3.9828 8.1053 118.3674 55.3863 18.6441 179.6038 29 L 4.2709 8.1855 117.4575 58.0667 41.8860 179.5631 30 F 4.5781 8.9286 120.8685 61.3104 39.0940 176.9547 31 A 3.9338 8.3160 120.1244 54.7503 18.1622 179.3835 32 S 4.1641 7.7318 112.1126 59.5108 62.9377 175.6576 33 G 3.7083 7.4273 109.0148 46.0649 0.0000 174.1114 34 Q 4.0472 7.3698 117.4427 55.8179 29.3391 175.7926 35 F 5.1844 7.5128 115.1015 55.3230 43.4417 174.4772 36 G 3.9436 8.7214 112.1566 45.1517 0.0000 174.0883 37 E 3.1709 9.0769 124.1749 58.9542 29.4536 179.0182 38 A 4.1381 7.7709 118.3551 54.1718 18.6586 177.7590 39 D 4.5390 7.8008 114.1886 55.6406 41.2812 176.5363 40 I 4.0674 7.3318 120.2943 60.5693 37.3864 175.8648 41 K 4.6288 8.5304 127.5435 54.5723 34.0066 175.9034 42 S 6.0111 8.6841 119.5384 56.7492 66.0618 173.5084 43 R 4.8329 8.3270 116.0110 54.9376 32.9428 173.1457 44 F 5.3201 8.8545 122.3455 56.5985 42.1861 174.5078 45 V 4.5791 8.4761 118.5982 59.8426 35.4981 174.5439 46 T 4.7762 8.5231 121.0791 62.3506 70.0135 174.2103 47 L 4.3701 8.8930 127.5505 54.0605 42.1893 177.5963 48 E 4.1940 9.0966 123.7670 57.1443 30.2082 176.1143 49 A 4.5525 8.0144 120.5258 50.2894 20.0608 174.4432 50 Y 5.0509 7.4878 118.1839 56.4114 41.2110 175.0707 51 R 4.6801 8.5442 119.0244 54.7060 34.2584 174.3634 52 Q 4.5177 8.6409 122.4178 54.9297 31.7046 176.1236 53 G 3.8215 8.7963 115.4400 46.4850 0.0000 173.0905 54 T 4.4769 8.3921 107.6501 61.0028 70.3612 174.4682 55 A 4.1553 7.7743 125.3375 51.7499 19.0210 177.9164 56 A 4.1701 8.4604 121.4923 52.9986 18.4355 178.4193 57 V 4.0084 6.9057 115.8875 62.6943 32.1524 175.3931 58 E 4.3682 9.0501 126.0149 56.4524 30.3820 175.9667 59 R 5.1313 8.7142 121.9909 54.4541 34.4211 174.1924 60 A 4.9996 8.6467 122.2922 50.5573 22.4401 174.7273 61 Y 5.0849 8.1105 116.4046 55.7514 42.4049 173.6088 62 L 5.2573 9.1126 121.6335 53.8673 45.7448 174.5242 63 H 5.6030 9.6099 125.1761 54.5342 33.8336 171.6822 64 A 5.8234 8.6451 125.0389 50.3387 22.8680 174.5594 65 C 4.9633 8.5382 120.1609 57.5315 34.1845 172.8483 66 L 4.8996 8.8382 129.9173 54.0890 43.2340 175.1601 67 S 5.3238 8.7068 122.8518 56.8435 64.9907 173.3661 68 I 4.5756 8.4387 117.7766 58.5130 41.1622 174.6774 69 L 4.4769 8.2622 122.0419 53.8879 41.9587 177.2454 70 D 4.8649 7.9594 120.7896 53.6374 39.8923 176.7235 71 G 4.0189 8.7076 107.2153 45.8975 0.0000 174.7155 72 R 4.2738 7.7517 118.2531 55.4349 31.2405 176.0417 73 D 4.7250 8.1831 119.9698 51.9593 42.4370 177.1964 74 A 3.9528 8.4661 120.4595 55.5737 18.2206 179.6394 75 A 3.9401 7.9644 118.4693 55.4313 18.5771 179.6221 76 T 3.7937 8.2201 114.2226 67.0466 68.6188 176.9054 77 R 3.9519 7.7408 119.6054 59.2872 30.0571 178.9293 78 Q 3.9497 8.2925 119.1252 59.1947 29.0744 178.2257 79 A 3.9950 8.1463 121.7508 55.0422 18.3985 179.6024 80 L 4.0827 7.9680 117.3409 57.9106 41.6701 179.9224 81 G 3.6511 8.1690 105.5990 47.9466 0.0000 175.3627 82 E 3.9538 8.4195 122.1449 58.7394 29.6358 178.7778 83 S 4.0988 8.2409 113.3396 61.4318 62.4252 176.2217 84 L 4.0311 8.0765 121.6820 57.9175 41.2751 178.9939 85 C 4.0817 8.4510 119.0442 62.3978 31.4355 175.2509 86 E 3.9239 8.3780 121.0178 59.1469 28.9879 179.0046 87 V 3.5776 7.4185 116.7480 65.9584 31.9308 177.7619 88 L 4.1452 8.1692 118.5609 57.8588 41.4679 179.3151 89 A 4.1237 8.4200 121.2037 55.2420 18.0981 179.9459 90 G 3.6181 8.0561 102.7886 47.3471 0.0000 175.0379 91 A 4.4152 7.9119 121.9315 52.1209 18.7328 177.0787 92 V 3.8959 7.1511 117.7625 62.6252 31.8686 175.4912 93 A 4.4411 9.2209 131.3437 51.9901 19.7831 177.0523 94 G 3.9016 7.8109 101.6496 46.2350 0.0000 169.9250 95 G 4.2274 9.4544 110.4227 45.3340 0.0000 174.7709 96 G 3.9237 8.1657 113.0481 44.9439 0.0000 173.5559 97 E 4.6372 9.0002 119.7183 55.8144 30.0851 175.2332 98 E 4.6146 7.6455 116.3884 55.4863 31.9641 174.8398 99 G 3.7771 8.6596 107.0013 46.4494 0.0000 172.5606 100 V 4.5210 8.0092 119.7720 60.9076 33.3478 175.1694 101 Q 4.2903 8.7847 127.4862 55.7548 29.8681 174.9514 102 V 5.1441 8.4704 124.1049 61.1550 33.9824 174.6739 103 S 4.8500 8.9950 120.9129 56.8110 67.0226 172.9636 104 V 4.8051 8.2378 120.1111 61.3726 34.1474 173.8851 105 E 4.6315 9.1243 129.2858 54.7166 31.7813 174.4935 106 V 4.8748 8.3905 126.0747 61.1395 33.5209 174.6161 107 R 4.7658 9.2676 124.2340 54.7222 33.1280 174.9096 108 E 5.6544 8.1674 118.3869 53.6769 32.3474 174.2076 *110 E 4.4112 8.3560 118.9616 56.5171 30.2857 176.6152 111 R 3.8656 9.0475 127.6379 59.4831 30.2577 178.6095 112 A 4.0863 8.1071 118.9742 54.3347 18.4493 177.8808 113 S 4.5990 7.6136 107.5283 58.0140 63.6383 173.4576 114 Y 4.1814 7.8645 122.8966 57.3559 38.4415 174.2738 115 A 4.6650 7.9488 130.5882 50.3995 20.9480 175.8224 116 K 4.6651 8.0475 119.1159 55.7991 35.6278 175.6470 117 R 4.7878 8.4206 117.6353 55.2416 34.0427 174.5328 118 V 3.9975 8.0870 120.2720 61.0224 32.7957 175.4466 119 V 3.9306 8.1936 127.4387 61.0789 31.1306 175.2645 120 A 4.0731 8.2757 130.6536 51.5700 18.9266 176.9075 121 R 3.8847 8.4692 121.1818 56.9097 30.6335 176.3665 122 Q 4.1991 8.5358 124.3174 56.2273 29.2722 174.8270 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 -5 N 8.28 4.66 0.00 2.76 2.88 0.00 0.00 7.10 5.78 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 -4 L 8.23 4.03 0.00 1.38 1.54 0.83 0.58 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 -3 Y 8.71 4.57 0.00 3.18 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 -2 F 8.31 4.77 0.00 2.99 3.19 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 -1 Q 8.95 4.26 0.00 2.25 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.82 0.00 0.00 0.00 0.00 0.00 2.30 2.52 0.00 0 G 8.07 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.44 0.00 2.44 1.99 0.00 2.20 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 -2 H 8.43 4.88 0.00 3.14 3.31 0.00 5.08 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 L 8.79 4.26 0.00 1.75 1.68 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0 V 7.77 3.67 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 0.76 0.00 0.00 0.93 0.00 0.00 6 I 8.77 4.83 1.92 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 1.24 0.48 0.88 0.00 0.00 7 E 9.43 4.87 0.00 1.82 1.71 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 2.13 2.17 0.00 8 A 8.10 5.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.94 3.42 2.69 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 -0.40 0.00 0.00 10 A 8.04 3.96 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.25 4.63 0.00 2.77 3.07 0.00 0.00 6.91 7.67 0.00 0.00 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 7.63 4.15 0.00 1.56 1.67 0.93 0.81 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 13 R 9.26 4.67 0.00 1.83 1.81 0.00 3.15 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 14 L 8.36 5.12 0.00 1.60 1.60 0.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 15 E 9.41 4.25 0.00 1.80 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 2.47 2.55 0.00 16 T 7.43 4.62 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 17 S 8.45 4.38 0.00 3.96 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 18 P 0.00 3.60 0.00 1.60 0.49 0.00 3.38 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.52 0.00 19 G 7.77 3.55 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 0.00 0.00 0.00 20 E 8.16 3.97 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 2.30 2.27 0.00 21 L 7.93 3.93 0.00 1.72 1.80 0.96 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.04 4.01 0.00 1.90 1.72 0.97 0.90 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 23 E 8.22 3.96 0.00 2.19 2.00 0.00 0.00 0.00 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 2.54 0.00 24 Q 8.39 3.99 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 25 A 8.28 4.02 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 26 N 8.54 4.31 0.00 2.95 2.88 0.00 0.00 6.96 8.37 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 27 A 8.24 4.11 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 28 A 8.11 3.98 1.43 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 0.00 0.00 29 L 8.19 4.27 0.00 1.96 1.89 0.87 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.93 4.58 0.00 3.16 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 31 A 8.32 3.93 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 32 S 7.73 4.16 0.00 3.91 4.04 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 33 G 7.43 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 0.00 0.00 0.00 34 Q 7.37 4.05 0.00 0.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.44 6.63 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 35 F 7.51 5.18 0.00 3.15 2.86 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 36 G 8.72 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 37 E 9.08 3.17 0.00 1.16 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 1.62 1.70 0.00 38 A 7.77 4.14 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 39 D 7.80 4.54 0.00 2.98 2.76 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 40 I 7.33 4.07 1.80 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.59 0.85 0.00 0.00 41 K 8.53 4.63 0.00 1.50 1.74 0.00 1.74 0.00 0.00 1.80 0.00 0.00 3.14 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.32 1.36 7.81 42 S 8.68 6.01 0.00 3.85 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 43 R 8.33 4.83 0.00 1.87 2.05 0.00 3.10 0.00 0.00 3.53 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 44 F 8.85 5.32 0.00 3.01 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 45 V 8.48 4.58 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 0.77 0.00 0.00 0.86 0.00 0.00 46 T 8.52 4.78 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 1.29 0.00 0.00 47 L 8.89 4.37 0.00 1.31 1.63 0.84 0.72 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 48 E 9.10 4.19 0.00 2.00 2.05 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 2.31 2.27 0.00 49 A 8.01 4.55 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 50 Y 7.49 5.05 0.00 3.12 2.86 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 51 R 8.54 4.68 0.00 1.80 1.84 0.00 3.28 0.00 0.00 3.06 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 52 Q 8.64 4.52 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.05 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 53 G 8.80 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 54 T 8.39 4.48 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 55 A 7.77 4.16 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 56 A 8.46 4.17 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 57 V 6.91 4.01 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 1.22 0.00 0.00 0.95 0.00 0.00 58 E 9.05 4.37 0.00 1.97 1.91 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 2.42 2.31 0.00 59 R 8.71 5.13 0.00 1.76 2.01 0.00 3.22 0.00 0.00 3.30 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 60 A 8.65 5.00 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.11 5.08 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 62 L 9.11 5.26 0.00 1.76 1.53 0.97 0.90 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 63 H 9.61 5.60 0.00 3.27 3.13 0.00 5.77 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 64 A 8.65 5.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 C 8.54 4.96 0.00 2.95 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 66 L 8.84 4.90 0.00 1.79 1.52 0.86 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.71 5.32 0.00 3.78 3.75 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 0.00 0.00 0.00 68 I 8.44 4.58 1.94 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 0.76 0.96 0.00 0.00 69 L 8.26 4.48 0.00 1.48 1.54 0.78 0.51 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 70 D 7.96 4.86 0.00 2.89 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 71 G 8.71 4.02 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 0.00 0.00 0.00 72 R 7.75 4.27 0.00 1.82 1.86 0.00 3.36 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 73 D 8.18 4.72 0.00 2.93 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 74 A 8.47 3.95 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 75 A 7.96 3.94 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 76 T 8.22 3.79 4.47 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 1.19 0.00 0.00 77 R 7.74 3.95 0.00 1.95 1.99 0.00 3.14 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 1.67 1.86 0.00 78 Q 8.29 3.95 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 79 A 8.15 4.00 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 80 L 7.97 4.08 0.00 1.98 1.81 1.09 0.85 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 81 G 8.17 3.65 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 0.00 0.00 0.00 82 E 8.42 3.95 0.00 2.10 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 2.31 2.36 0.00 83 S 8.24 4.10 0.00 3.99 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 0.00 84 L 8.08 4.03 0.00 1.90 1.71 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 85 C 8.45 4.08 0.00 3.13 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 86 E 8.38 3.92 0.00 2.14 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 2.32 2.37 0.00 87 V 7.42 3.58 2.25 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 0.94 0.00 0.00 1.03 0.00 0.00 88 L 8.17 4.15 0.00 1.88 1.73 0.93 1.06 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 89 A 8.42 4.12 1.40 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 0.00 0.00 0.00 90 G 8.06 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.91 4.42 1.43 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 0.00 0.00 92 V 7.15 3.90 2.22 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 0.78 0.00 0.00 1.02 0.00 0.00 93 A 9.22 4.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 7.81 3.90 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 0.00 0.00 0.00 95 G 9.45 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 0.00 0.00 0.00 0.00 96 G 8.17 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 97 E 9.00 4.64 0.00 2.11 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 0.00 2.50 2.23 0.00 98 E 7.65 4.61 0.00 2.05 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 0.00 2.20 2.33 0.00 99 G 8.66 3.78 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 0.00 0.00 0.00 100 V 8.01 4.52 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 0.91 0.00 0.00 0.95 0.00 0.00 101 Q 8.78 4.29 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.64 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 102 V 8.47 5.14 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 0.86 0.00 0.00 0.96 0.00 0.00 103 S 9.00 4.85 0.00 3.95 3.90 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 0.00 104 V 8.24 4.81 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 0.79 0.00 0.00 0.95 0.00 0.00 105 E 9.12 4.63 0.00 2.13 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 2.24 2.25 0.00 106 V 8.39 4.87 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 0.92 0.00 0.00 1.03 0.00 0.00 107 R 9.27 4.77 0.00 1.83 2.17 0.00 2.78 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 108 E 8.17 5.65 0.00 2.01 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 2.29 2.21 0.00 *110 E 8.36 4.41 0.00 2.04 1.93 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 2.37 2.28 0.00 111 R 9.05 3.87 0.00 1.99 1.96 0.00 3.15 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 112 A 8.11 4.09 1.36 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 0.00 0.00 0.00 113 S 7.61 4.60 0.00 3.98 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 0.00 114 Y 7.86 4.18 0.00 3.09 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 0.00 115 A 7.95 4.67 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 0.00 116 K 8.05 4.67 0.00 1.77 1.51 0.00 0.61 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.21 1.43 7.81 117 R 8.42 4.79 0.00 1.82 1.85 0.00 3.19 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 118 V 8.09 4.00 1.79 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 0.63 0.00 0.00 -0.01 0.00 0.00 119 V 8.19 3.93 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 0.83 0.00 0.00 0.92 0.00 0.00 120 A 8.28 4.07 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 0.00 121 R 8.47 3.88 0.00 1.76 1.85 0.00 3.17 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 122 Q 8.54 4.20 0.00 1.98 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.42 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.