NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.7587 8.1727 120.1012 56.5370 34.1579 173.7203 3 V 4.6311 9.4032 126.5158 60.3376 33.5384 172.5816 4 L 5.1385 9.8786 131.8302 53.5829 44.8005 174.3127 5 F 5.2266 9.3171 124.0902 55.6884 41.9741 174.2465 6 L 5.0119 8.2434 124.0468 53.8985 42.8820 175.4749 7 T 4.6848 8.3628 118.4054 62.9349 71.5423 170.8670 8 A 4.8498 8.3978 120.9410 52.4459 22.6868 175.6836 9 N 4.5900 9.1502 114.8299 55.5971 38.9812 174.9876 10 E 3.7146 9.3734 119.7500 57.0658 27.6415 174.8284 11 F 4.4987 7.2475 113.0350 56.2439 38.9712 174.3995 12 E 4.3918 8.9370 123.5939 56.1570 29.2566 176.9239 13 D 4.8346 8.9171 126.9730 58.3991 40.9524 179.8853 14 V 3.7608 7.8473 111.7663 64.1372 31.4888 177.9264 15 E 4.3636 8.2348 116.7479 57.6891 29.6783 177.6398 16 L 4.7110 7.8711 119.7379 57.1542 43.3146 178.0498 17 I 3.7101 7.9227 119.7702 64.3688 36.8981 177.7358 18 Y 4.0561 8.4574 120.7120 60.3538 38.7840 176.5165 19 P 4.2615 0.0000 0.0000 65.7593 31.4573 177.5128 20 Y 3.9432 8.0596 118.9741 61.1523 38.6776 178.0571 21 H 4.1992 8.3435 116.9470 58.6674 28.6333 177.6930 22 R 3.7253 7.9023 120.0707 59.4554 29.9960 178.2439 23 L 4.2125 8.0636 118.6439 57.4704 41.7087 179.4669 24 K 4.1563 7.6699 119.4185 58.6393 31.6396 178.7904 25 E 3.9030 8.0289 119.1435 59.4159 29.6343 178.4263 26 E 4.1100 7.6464 116.1509 57.3418 29.6437 177.7882 27 G 3.9585 7.7929 107.1020 45.1962 0.0000 173.6243 28 H 4.5139 7.7202 117.0312 55.4557 29.7914 173.8855 29 E 4.4073 8.6876 122.2887 55.7070 30.9657 175.5689 30 V 5.0686 7.9723 117.0977 59.8082 34.3479 174.7304 31 Y 5.0088 9.4435 121.6734 56.3544 42.1997 174.3802 32 I 4.7143 9.6506 124.6342 59.7751 39.4497 174.4012 33 A 5.6295 8.8831 129.3572 49.8714 21.8422 175.4088 34 S 4.0023 7.4068 113.7729 57.4810 65.6167 174.3419 35 F 3.9014 8.5004 117.9995 60.1103 38.6538 175.2698 36 E 4.7374 7.6416 116.0236 54.1151 33.3545 174.9863 37 R 4.2304 8.2086 119.7033 56.2030 32.1159 177.7013 38 G 4.1078 9.0011 104.7182 44.6825 0.0000 174.8663 39 T 5.1060 8.2086 114.0948 59.4967 72.0426 172.5570 40 I 4.8830 8.5654 114.7038 59.4966 41.6375 174.2218 41 T 5.1683 8.4068 118.8788 61.6575 72.0912 174.2678 42 G 2.9716 8.8266 113.9690 44.8532 0.0000 174.7638 43 K 4.2788 8.1590 118.6152 58.9881 32.5081 177.7246 44 H 4.4928 9.0018 115.1974 55.5312 28.8512 175.9103 45 G 3.9225 7.8841 108.7104 44.8918 0.0000 173.7773 46 Y 4.1722 8.4765 118.7440 57.9675 39.0569 174.6105 47 S 5.3925 8.8104 118.2353 56.7951 64.5206 173.4406 48 V 4.6936 8.7736 119.2997 59.2675 35.8037 174.8093 49 K 4.6700 8.4760 122.5526 56.1912 33.9823 176.3790 50 V 3.9722 8.5726 123.5918 62.3613 32.3259 175.7904 51 D 4.6406 9.1644 127.9697 56.6238 41.4637 176.5201 52 L 4.4934 7.3325 116.4734 54.7923 43.0670 174.3677 53 T 5.1356 7.9763 109.3471 59.9245 70.4968 175.7273 54 F 4.4380 8.1971 120.8684 61.0467 39.0573 177.8126 55 D 4.4626 8.2588 118.6118 57.0597 40.6756 177.3503 56 K 4.3080 7.6413 115.5717 56.5616 32.5452 176.9650 57 V 3.8842 7.5157 120.2593 62.2147 32.1827 174.6811 58 N 4.9056 8.7976 125.2653 51.1299 39.9769 172.6522 59 P 4.4869 0.0000 0.0000 65.9434 31.5737 178.6427 60 E 4.1202 8.3501 116.2082 58.6058 29.4024 177.4325 61 E 4.1412 8.3467 117.1775 56.3615 29.8740 176.0593 62 F 4.8289 7.7670 116.9170 55.7516 42.0836 174.5408 63 D 4.9632 8.9479 121.8206 54.9301 42.5436 176.3344 64 A 5.0065 7.8934 118.4524 50.3154 23.3713 174.5672 65 L 5.1653 9.2598 120.8759 53.2341 45.8469 175.4398 66 V 4.5111 8.5306 125.1623 61.0177 34.6291 174.1880 67 L 4.9951 9.2974 128.0855 52.1165 43.0016 174.3933 68 P 4.5607 0.0000 0.0000 62.4647 32.5365 176.6588 69 G 3.9559 8.7434 110.5550 47.8388 0.0000 171.5503 70 G 4.1548 8.8911 108.0353 44.7968 0.0000 173.3762 71 R 4.1806 8.4442 116.2631 57.2648 30.3614 178.2170 72 A 4.1508 8.0699 121.0293 54.9586 18.3058 177.4572 73 P 4.2516 0.0000 0.0000 65.9998 31.1883 178.5564 74 E 4.1725 7.9008 115.8739 58.6700 29.6212 178.7791 75 R 4.3955 7.8204 117.5738 58.3040 30.9422 178.6394 76 V 3.6841 8.3544 118.7592 65.7853 31.3473 177.8453 77 R 4.0597 8.3644 114.3431 57.8228 29.3929 177.5318 78 L 4.6199 7.5940 118.1255 53.7436 42.4732 175.4285 79 N 4.7386 7.7837 119.7230 52.0120 39.5131 174.7182 80 E 3.8733 9.0282 127.1372 59.4146 29.6077 178.5807 81 K 3.8672 8.0480 118.5927 59.4505 32.4644 178.4163 82 A 3.4496 8.4055 121.3250 54.9691 18.0725 179.7821 83 V 3.4259 7.7133 117.0446 66.0447 31.4808 178.4311 84 S 4.1586 8.1529 114.0893 61.2417 62.5597 176.5429 85 I 3.6228 7.4518 122.4650 64.2300 36.9729 177.9012 86 A 4.1049 7.5259 119.8658 54.9884 18.4293 179.3033 87 R 4.0031 8.3103 117.6206 59.4965 30.0973 179.2600 88 K 4.2341 8.0415 114.2066 57.4698 31.6099 178.3419 *90 F 4.4916 7.9530 123.7430 58.2193 40.8556 177.3485 91 S 4.2836 8.3047 113.6548 61.1408 62.8807 174.9939 92 E 4.0163 8.2499 119.0352 57.0836 29.2525 177.7256 93 G 3.8123 7.8813 107.3932 45.0403 0.0000 174.0176 94 K 4.2413 7.5274 118.0301 55.1929 33.1569 175.2042 95 P 4.6111 0.0000 0.0000 63.2811 32.6497 175.4936 96 V 5.0116 9.5452 123.8322 61.2134 34.9594 173.6404 97 A 5.4075 8.9652 130.4155 50.1203 21.2620 175.2858 98 S 5.3988 9.5583 116.7039 56.8863 67.0167 172.9551 99 I 4.8763 8.0072 120.3761 60.0536 41.9402 176.0417 100 C 4.3815 8.6645 128.0937 60.5144 31.1898 175.1386 101 H 4.6617 9.1349 117.3815 56.0187 29.3898 176.6025 102 G 3.9214 8.3926 108.0898 47.5303 0.0000 173.5135 103 P 4.5491 0.0000 0.0000 64.4203 31.3652 178.1182 104 Q 3.9889 8.4378 119.1044 59.1931 28.6224 178.6528 105 I 3.7006 7.6798 120.6223 64.2603 37.2198 178.4448 106 L 3.7602 7.5783 119.4296 57.3445 41.4494 179.2033 107 I 3.6360 7.7981 120.0609 64.7232 36.9147 178.7364 108 S 4.1074 7.7942 113.8147 61.2211 62.6543 176.2485 109 A 4.1079 7.5163 122.0926 52.5349 18.1206 177.8443 110 G 3.7317 7.7481 104.9235 46.9415 0.0000 174.7163 111 V 4.1692 6.9966 109.5388 60.7755 32.2779 176.7356 112 L 4.0674 7.3362 119.7316 54.7232 42.1375 176.4233 113 R 4.2291 7.7568 120.1143 57.8875 30.1366 176.5336 114 G 4.0382 9.3730 114.6775 45.2836 0.0000 173.5549 115 R 4.6279 8.0668 119.0157 55.7236 31.9688 175.1675 116 K 4.9339 8.8662 122.8247 55.2551 34.1509 175.7447 117 G 3.2055 7.8732 112.6733 46.6415 0.0000 170.9701 118 T 4.0879 7.5669 114.2447 61.1312 70.5415 172.2405 119 S 4.7358 8.0608 114.3793 58.1934 65.5330 174.7043 120 Y 4.3757 8.1498 121.6781 57.6014 38.9203 175.5737 121 P 4.0135 0.0000 0.0000 65.5543 31.6003 178.6472 122 G 3.5156 6.2914 105.8656 47.4517 0.0000 173.9066 123 I 4.4356 7.6850 112.8927 60.1921 37.8895 177.5596 124 K 3.1733 7.3486 122.9722 60.3036 32.2357 178.0907 125 D 4.3469 7.6962 118.9028 57.0441 40.9411 177.1099 126 D 4.7664 7.7279 118.3794 54.9260 40.8505 178.4868 *128 I 4.5261 7.8421 120.8284 61.7382 38.8627 178.0201 129 N 4.3310 8.2353 115.5459 55.5924 38.3524 175.6686 130 A 4.2613 7.6372 119.4894 52.1677 19.2362 177.8911 131 G 3.9732 8.6766 105.8660 44.9331 0.0000 173.2712 132 V 4.5341 7.6696 120.1135 62.1127 33.1210 175.0332 133 E 4.7363 9.1809 126.6931 54.8475 30.1772 174.8427 134 W 4.5460 8.8155 135.0000 57.3019 31.5907 175.1686 135 V 4.0952 7.5965 127.0544 61.0726 33.4384 175.6479 136 D 3.9381 8.3857 127.5675 52.3358 39.6245 174.6784 137 A 4.6712 7.0831 125.1200 49.1765 22.6772 177.2306 138 E 4.2905 8.9245 117.8783 58.5788 29.7227 177.9044 139 V 4.6203 6.8709 117.2328 60.3402 34.6552 173.8418 140 V 4.2942 8.8050 123.7596 60.9198 34.7831 174.1462 141 V 4.4943 8.3534 126.8573 61.3661 33.5318 174.7951 142 D 4.7924 8.9368 128.6778 52.5525 42.3185 177.2717 143 G 3.8904 8.0817 118.0523 46.4301 0.0000 173.0236 144 N 4.4830 8.9354 124.8540 52.8444 37.8926 173.5199 145 W 5.5384 8.2576 131.1415 56.2426 32.5355 174.6556 146 V 4.8099 8.9908 128.9258 61.2196 32.9447 174.5694 147 S 5.3424 8.6702 122.4249 56.7819 66.6604 173.0939 148 S 4.7889 8.4251 116.3655 57.6210 67.6198 174.6151 149 R 4.2778 8.6538 117.5228 57.8747 31.5561 177.3432 150 V 4.9155 8.1737 109.8078 57.9406 36.1672 174.5846 151 P 4.2176 0.0000 0.0000 65.9963 30.6559 178.6758 152 A 4.1693 7.9956 117.8493 54.3889 18.1418 178.1357 153 D 4.5445 8.2910 116.6466 54.3971 40.9814 178.1186 154 L 4.1481 7.5288 120.8926 58.1586 41.7242 178.5419 155 Y 4.3976 8.1107 115.0296 60.4067 38.2504 178.0414 156 A 3.8399 6.2826 122.4639 53.8377 18.5263 178.8846 157 W 4.2777 8.1630 124.3986 59.3039 30.9249 177.1576 *159 R 4.2862 8.0053 117.9859 56.8203 31.5564 177.3295 160 E 4.0745 8.0985 116.8075 59.3382 29.4939 179.0307 161 F 4.1763 8.0884 120.6201 61.1315 39.4693 177.2692 162 V 3.4460 7.7558 117.4571 65.9007 31.1334 177.8716 163 K 3.8755 7.3637 115.6231 59.5017 31.9753 178.7054 164 L 3.9796 7.4163 118.9585 58.0131 42.0402 178.6579 165 L 3.9558 7.2060 117.5230 56.5902 41.6538 177.6637 166 K 4.2273 7.5001 122.5089 56.6611 32.1288 176.4428 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 K 8.17 4.76 0.00 1.72 1.95 0.00 1.33 0.00 0.00 1.81 0.00 0.00 2.62 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.64 1.48 7.81 3 V 9.40 4.63 2.29 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 0.95 0.00 0.00 0.96 0.00 0.00 4 L 9.88 5.14 0.00 1.07 1.28 0.34 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 5 F 9.32 5.23 0.00 3.11 2.97 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 6 L 8.24 5.01 0.00 1.47 1.57 0.84 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.36 4.68 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 1.15 0.00 0.00 8 A 8.40 4.85 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.15 4.59 0.00 2.79 2.82 0.00 0.00 6.90 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 10 E 9.37 3.71 0.00 2.14 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 2.18 2.36 0.00 11 F 7.25 4.50 0.00 3.45 3.39 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 12 E 8.94 4.39 0.00 2.13 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 2.49 2.41 0.00 13 D 8.92 4.83 0.00 2.92 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 14 V 7.85 3.76 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 0.82 0.00 0.00 0.97 0.00 0.00 15 E 8.23 4.36 0.00 2.23 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 0.00 2.32 2.36 0.00 16 L 7.87 4.71 0.00 1.70 1.77 0.71 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.92 3.71 1.85 0.00 0.00 0.49 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 0.70 0.89 0.00 0.00 18 Y 8.46 4.06 0.00 3.29 3.27 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 19 P 0.00 4.26 0.00 2.46 2.20 0.00 4.08 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.76 0.00 20 Y 8.06 3.94 0.00 2.87 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 21 H 8.34 4.20 0.00 3.28 3.32 0.00 5.88 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.90 3.73 0.00 1.20 1.77 0.00 3.20 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 23 L 8.06 4.21 0.00 1.82 1.75 1.04 0.59 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 24 K 7.67 4.16 0.00 1.83 1.74 0.00 1.17 0.00 0.00 1.44 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.12 0.96 7.81 25 E 8.03 3.90 0.00 1.92 2.18 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 2.29 2.34 0.00 26 E 7.65 4.11 0.00 1.96 1.80 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 2.46 2.44 0.00 27 G 7.79 3.96 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 0.00 0.00 0.00 28 H 7.72 4.51 0.00 3.36 3.21 0.00 5.63 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 29 E 8.69 4.41 0.00 2.16 1.80 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 2.35 2.38 0.00 30 V 7.97 5.07 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 0.62 0.00 0.00 -0.19 0.00 0.00 31 Y 9.44 5.01 0.00 3.02 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 32 I 9.65 4.71 1.96 0.00 0.00 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 1.14 0.65 0.81 0.00 0.00 33 A 8.88 5.63 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 34 S 7.41 4.00 0.00 3.74 3.52 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 35 F 8.50 3.90 0.00 3.01 3.09 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 36 E 7.64 4.74 0.00 1.91 1.82 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 2.25 2.38 0.00 37 R 8.21 4.23 0.00 1.80 1.90 0.00 3.34 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 38 G 9.00 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 0.00 0.00 0.00 39 T 8.21 5.11 4.39 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 1.22 0.00 0.00 40 I 8.57 4.88 2.14 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.14 1.03 0.00 0.00 41 T 8.41 5.17 4.22 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 1.23 0.00 0.00 42 G 8.83 2.97 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 0.00 43 K 8.16 4.28 0.00 1.75 1.83 0.00 1.69 0.00 0.00 1.42 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.19 7.81 44 H 9.00 4.49 0.00 3.56 3.44 0.00 5.61 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 7.88 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 46 Y 8.48 4.17 0.00 3.30 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 47 S 8.81 5.39 0.00 3.90 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.77 4.69 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 0.66 0.00 0.00 0.77 0.00 0.00 49 K 8.48 4.67 0.00 1.75 1.79 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.74 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.39 7.81 50 V 8.57 3.97 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 0.85 0.00 0.00 0.91 0.00 0.00 51 D 9.16 4.64 0.00 2.94 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 52 L 7.33 4.49 0.00 1.83 1.80 1.07 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 53 T 7.98 5.14 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 1.19 0.00 0.00 54 F 8.20 4.44 0.00 3.08 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 55 D 8.26 4.46 0.00 2.72 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 56 K 7.64 4.31 0.00 1.78 1.89 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.40 7.81 57 V 7.52 3.88 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 0.70 0.00 0.00 1.00 0.00 0.00 58 N 8.80 4.91 0.00 2.77 2.86 0.00 0.00 7.19 7.71 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 59 P 0.00 4.49 0.00 2.25 2.15 0.00 3.69 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 60 E 8.35 4.12 0.00 2.08 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 2.47 2.43 0.00 61 E 8.35 4.14 0.00 1.61 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 2.17 2.19 0.00 62 F 7.77 4.83 0.00 2.97 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 63 D 8.95 4.96 0.00 2.55 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 0.00 64 A 7.89 5.01 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 65 L 9.26 5.17 0.00 1.72 1.50 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.53 4.51 0.67 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 0.76 0.00 0.00 0.29 0.00 0.00 67 L 9.30 5.00 0.00 1.65 1.62 0.93 1.07 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 68 P 0.00 4.56 0.00 2.11 2.23 0.00 3.96 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 69 G 8.74 3.96 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 0.00 0.00 0.00 70 G 8.89 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 0.00 0.00 0.00 71 R 8.44 4.18 0.00 1.84 1.95 0.00 3.10 0.00 0.00 3.13 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 72 A 8.07 4.15 1.55 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 73 P 0.00 4.25 0.00 2.39 2.23 0.00 3.75 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 74 E 7.90 4.17 0.00 2.09 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 0.00 2.37 2.59 0.00 75 R 7.82 4.40 0.00 2.19 2.12 0.00 3.13 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 76 V 8.35 3.68 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 0.72 0.00 0.00 1.12 0.00 0.00 77 R 8.36 4.06 0.00 1.94 2.12 0.00 3.22 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.68 0.00 78 L 7.59 4.62 0.00 1.89 1.79 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 79 N 7.78 4.74 0.00 2.93 2.61 0.00 0.00 6.72 7.23 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 80 E 9.03 3.87 0.00 2.03 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 2.36 2.33 0.00 81 K 8.05 3.87 0.00 1.93 2.00 0.00 1.67 0.00 0.00 1.84 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.65 1.63 7.81 82 A 8.41 3.45 0.21 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 83 V 7.71 3.43 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 1.01 0.00 0.00 0.94 0.00 0.00 84 S 8.15 4.16 0.00 4.07 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 0.00 85 I 7.45 3.62 1.95 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.71 0.85 0.00 0.00 86 A 7.53 4.10 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 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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 1.15 0.00 0.00 97 A 8.97 5.41 -0.27 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 98 S 9.56 5.40 0.00 4.05 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 0.00 99 I 8.01 4.88 0.56 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 0.70 1.88 0.29 0.00 0.00 100 C 8.66 4.38 0.00 3.28 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 0.00 0.00 0.00 0.00 101 H 9.13 4.66 0.00 3.38 3.52 0.00 5.90 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 G 8.39 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 0.00 103 P 0.00 4.55 0.00 2.46 2.63 0.00 3.86 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 104 Q 8.44 3.99 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 G 8.68 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 0.00 0.00 0.00 132 V 7.67 4.53 2.29 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 1.41 0.00 0.00 1.14 0.00 0.00 133 E 9.18 4.74 0.00 2.15 2.19 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 2.56 2.31 0.00 134 W 8.82 4.55 0.00 3.34 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 0.00 135 V 7.60 4.10 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 0.61 0.00 0.00 0.85 0.00 0.00 136 D 8.39 3.94 0.00 2.89 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 0.00 137 A 7.08 4.67 1.04 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 0.00 138 E 8.92 4.29 0.00 2.00 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 2.22 2.15 0.00 139 V 6.87 4.62 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 0.50 0.00 0.00 0.97 0.00 0.00 140 V 8.80 4.29 1.67 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 0.83 0.00 0.00 0.62 0.00 0.00 141 V 8.35 4.49 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 0.84 0.00 0.00 0.96 0.00 0.00 142 D 8.94 4.79 0.00 2.83 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 0.00 143 G 8.08 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 0.00 144 N 8.94 4.48 0.00 3.00 3.05 0.00 0.00 5.46 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 0.00 145 W 8.26 5.54 0.00 3.52 3.40 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 0.00 146 V 8.99 4.81 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 1.02 0.00 0.00 1.12 0.00 0.00 147 S 8.67 5.34 0.00 3.74 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 0.00 148 S 8.43 4.79 0.00 2.92 3.48 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 0.00 149 R 8.65 4.28 0.00 1.89 2.06 0.00 3.07 0.00 0.00 3.23 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.57 0.00 150 V 8.17 4.92 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 0.93 0.00 0.00 1.04 0.00 0.00 151 P 0.00 4.22 0.00 2.16 2.12 0.00 3.62 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.32 0.00 152 A 8.00 4.17 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 0.00 153 D 8.29 4.54 0.00 2.65 2.75 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 0.00 154 L 7.53 4.15 0.00 1.36 1.00 0.78 0.98 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 0.00 155 Y 8.11 4.40 0.00 3.18 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 0.00 156 A 6.28 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 W 8.16 4.28 0.00 3.29 3.42 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 *159 R 8.01 4.29 0.00 2.14 2.14 0.00 3.24 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 160 E 8.10 4.07 0.00 2.09 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 2.49 2.44 0.00 161 F 8.09 4.18 0.00 2.89 2.81 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 0.00 0.00 0.00 162 V 7.76 3.45 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 0.99 0.00 0.00 0.93 0.00 0.00 163 K 7.36 3.88 0.00 1.95 1.83 0.00 1.92 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.70 7.81 164 L 7.42 3.98 0.00 1.69 1.48 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 165 L 7.21 3.96 0.00 1.61 1.50 0.58 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 166 K 7.50 4.23 0.00 1.84 1.69 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.62 7.81 * Residues marked with a * may have inaccurate shift predictions.