NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.2998 8.2549 119.6184 55.4471 31.9394 174.8653 3 W 4.2244 8.9062 123.1917 56.0029 30.5156 173.4463 4 N 5.2865 10.9700 125.5873 52.5730 40.2641 173.1718 5 I 5.0950 9.2288 128.1151 59.6636 40.6183 174.2664 6 C 4.4659 8.5896 127.3656 57.4746 33.3192 172.5549 7 V 4.3432 8.7551 128.0552 62.1171 32.6718 174.9458 8 V 4.4316 9.1459 129.9245 64.8941 32.7641 173.7800 9 G 3.9373 8.6007 117.0267 44.6873 0.0000 173.0218 10 A 4.7970 8.7346 129.6513 51.9529 19.7029 178.1027 11 G 3.9129 7.6846 107.7568 45.4218 0.0000 173.9101 12 K 3.9087 8.4965 119.9673 59.8055 32.2881 179.2094 13 I 3.9441 7.7407 118.3334 64.2606 37.3528 178.1727 14 G 4.1200 7.8932 107.4324 47.2891 0.0000 175.8473 15 Q 4.0965 8.0392 116.4347 56.8013 28.2631 178.2109 *17 I 3.9722 7.6958 122.8764 61.4244 39.3463 177.8076 18 A 3.9438 8.1897 121.6189 55.1514 18.0644 179.4180 19 A 3.9248 8.1384 119.3582 55.2004 18.2095 179.5490 20 L 3.8701 7.7744 116.9693 58.4734 42.5707 178.8038 21 L 4.1634 8.2576 119.2897 57.4426 41.2907 179.2312 22 K 3.9573 8.1990 119.4837 59.6796 32.2646 178.1308 23 T 4.3496 7.4569 106.2470 61.4434 69.2883 174.5923 24 S 4.5115 7.7959 117.2319 58.7227 63.9580 173.9441 25 S 4.6905 8.5180 114.1387 58.6998 63.6214 174.4435 26 N 4.9017 7.9167 115.5844 52.4285 40.9579 173.2979 27 Y 5.3958 8.0731 115.8889 56.2061 41.6465 175.1402 28 S 5.1392 9.5818 118.4278 56.7489 66.5234 173.5289 29 V 5.1196 8.4287 121.4219 60.3491 34.3419 174.7825 30 T 4.8997 9.0441 119.9171 61.7979 72.3288 172.8796 31 V 4.7736 8.9116 125.6619 61.2334 33.7646 174.0471 32 A 5.7014 8.8681 130.0418 49.8864 21.4888 174.9043 33 D 4.8154 8.2942 119.9630 53.9271 44.5131 175.4675 34 H 4.8107 8.7246 115.5741 56.0774 29.4993 174.7324 35 D 4.5869 8.2001 120.9035 52.4196 40.6637 176.4002 36 L 3.9348 8.6642 127.7934 57.6091 41.7471 178.5888 37 A 4.3005 8.1182 119.4019 53.4680 19.6042 178.9021 38 A 4.1937 8.1045 118.0305 54.8017 18.1899 178.2914 39 L 4.2010 7.5901 115.6709 55.2709 42.7033 177.9172 40 A 4.5320 7.7220 120.7306 53.9417 20.4578 179.1038 41 V 3.4589 7.7736 114.7363 66.5041 31.9008 177.7401 42 L 4.1545 7.9504 117.9434 56.8921 41.3968 178.0802 43 N 4.7141 7.9110 115.3657 55.2802 39.7955 177.1875 44 R 3.8796 7.8303 114.7780 57.1395 29.8147 177.6750 *46 G 3.8819 8.0069 107.6418 44.9031 0.0000 173.4543 47 V 4.1991 7.5428 120.2496 61.2758 32.5776 175.7713 48 A 4.3074 8.7857 129.9572 52.7743 19.3273 176.1624 49 T 5.1878 8.3098 110.8875 60.1208 72.9639 173.3414 50 K 4.4434 8.5564 121.8801 55.4898 35.9869 174.2034 51 Q 4.8302 8.8159 129.6754 56.1028 29.7544 175.1570 52 V 4.6369 9.1940 118.8763 59.5349 36.7193 173.9918 53 D 5.0752 8.4293 120.9658 52.4538 42.8942 176.5392 54 A 4.2655 8.8624 129.4632 54.4248 18.6734 178.1419 55 K 4.0442 8.2966 114.3572 57.7676 32.4428 177.2247 56 D 4.7366 8.1807 119.5287 52.5061 41.5707 176.0290 57 E 3.9508 8.4792 127.1833 58.9947 29.7249 178.8889 58 A 4.0968 7.9919 120.6270 55.0535 18.5174 179.6520 59 G 3.6078 8.4334 104.3217 47.8797 0.0000 175.6816 60 L 3.9465 8.2156 122.7595 57.7773 41.9231 178.7317 61 A 4.0098 7.8666 119.6224 55.1762 18.5925 179.2694 62 K 4.0470 8.1182 117.7432 59.6516 32.1176 178.9401 63 A 4.1322 8.1395 119.9716 54.6107 18.7103 178.5493 64 L 4.7555 7.9119 115.8238 53.9118 42.1718 176.9641 65 G 3.7516 7.5747 109.4120 46.9108 0.0000 174.5325 66 G 3.7536 8.9695 110.6581 44.9144 0.0000 173.0497 67 F 4.8610 7.2170 117.1497 55.8804 40.7776 175.9484 68 D 4.8556 9.3978 124.9175 57.2599 41.9173 176.2302 69 A 5.2886 8.1312 117.8985 50.5306 23.1736 175.1562 70 V 4.7092 9.3949 120.6604 61.1770 34.3920 174.3384 71 I 4.8795 8.3922 128.7960 59.5188 39.4081 174.9126 72 S 4.6292 8.7180 122.7156 57.6354 63.5509 174.0675 73 A 4.9407 9.1058 130.2195 51.8765 19.3076 175.3006 74 A 4.6825 8.1179 120.6633 50.4761 22.7465 175.6632 75 P 4.3265 0.0000 0.0000 62.2923 32.0328 177.9268 76 F 4.1663 8.7940 116.6504 60.1935 37.2463 177.3296 77 F 4.2126 6.3152 112.6497 58.3327 37.9793 176.1126 78 L 4.4204 7.5060 119.2702 55.1955 41.8345 178.2000 79 T 3.9100 7.6930 117.3166 66.5302 68.5277 174.4559 80 P 4.3405 0.0000 0.0000 65.4206 31.2928 178.9012 81 I 3.6716 7.5778 118.2928 64.4195 37.1126 178.3409 82 I 3.6101 8.0144 120.8366 64.2409 36.8764 178.3637 83 A 2.9671 7.9672 121.8964 54.5589 17.9767 179.6736 84 K 3.7971 7.8650 117.9282 59.4163 32.2105 178.9301 85 A 3.9281 7.9027 120.8648 55.0821 18.2439 179.3424 86 A 3.9669 8.0816 119.4365 55.3281 18.5092 179.7618 87 K 3.8653 8.2111 117.8973 59.6148 32.0313 178.8161 88 A 4.0197 8.0107 120.0613 54.9880 18.4428 178.7842 89 A 4.2821 8.2849 116.7763 52.1589 18.6351 177.8825 90 G 3.7881 7.9030 104.9908 46.1626 0.0000 173.3257 91 A 4.8703 7.9942 120.6657 49.8871 21.1317 177.8171 92 H 4.5244 8.9410 118.2315 56.1383 30.2044 173.8430 93 Y 5.2833 8.6651 122.0796 55.8441 41.5200 174.5141 94 F 4.2863 8.2811 127.9238 55.6669 42.2098 174.9287 95 D 4.4773 7.2252 130.9047 52.8877 40.1950 175.8354 96 L 3.7171 7.3849 125.1440 58.0592 42.7621 177.6027 97 T 3.6916 7.7468 106.7741 60.5255 69.2162 171.5997 98 E 4.0032 8.5703 118.8562 58.4063 29.9221 177.5146 99 D 4.3436 7.5752 116.3285 52.4979 43.1964 175.3495 100 V 3.5384 8.2204 127.1127 65.6155 31.7190 177.2777 101 A 3.9287 8.0437 119.8205 55.1500 18.4041 179.2979 102 A 3.9295 8.5210 119.4351 55.6590 18.3746 180.0868 103 T 3.7513 8.0732 114.2987 66.6495 68.5246 176.7864 104 N 4.2132 8.4498 118.5884 56.2619 38.4862 177.0721 105 A 3.9459 7.9737 122.0466 55.3091 18.3386 179.9187 106 V 3.3165 7.4068 116.0169 65.9695 31.5372 178.4112 107 R 3.8196 8.1152 117.8539 59.1800 29.8955 178.7681 108 A 3.9319 8.3298 120.8534 55.0527 18.3191 179.3535 109 L 3.8218 8.0649 118.9688 58.3668 41.9563 179.2128 110 V 3.5598 7.6590 116.8536 66.0798 31.5860 177.6246 111 E 4.0812 8.0880 117.9527 59.7315 29.4254 179.1275 112 D 4.3595 8.5198 119.3886 57.2462 40.5972 178.9899 113 S 4.2362 8.1702 113.9102 60.6210 63.0357 175.5039 114 Q 4.4635 7.9583 120.1296 56.3303 29.1470 175.5640 115 T 4.1664 7.6838 115.4828 61.9942 68.8680 173.3983 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 R 8.25 4.30 0.00 1.67 1.99 0.00 3.17 0.00 0.00 3.32 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.61 0.00 3 W 8.91 4.22 0.00 3.56 3.34 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 4 N 10.97 5.29 0.00 2.88 2.89 0.00 0.00 6.76 7.90 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 5 I 9.23 5.10 2.05 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.95 0.86 0.00 0.00 6 C 8.59 4.47 0.00 1.23 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 0.00 0.00 0.00 0.00 7 V 8.76 4.34 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 0.69 0.00 0.00 0.88 0.00 0.00 8 V 9.15 4.43 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 0.73 0.00 0.00 0.90 0.00 0.00 9 G 8.60 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 10 A 8.73 4.80 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 11 G 7.68 3.91 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 0.00 0.00 0.00 12 K 8.50 3.91 0.00 1.74 1.85 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.59 7.81 13 I 7.74 3.94 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.02 0.90 0.00 0.00 14 G 7.89 4.12 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 0.00 0.00 0.00 15 Q 8.04 4.10 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.34 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 *17 I 7.70 3.97 1.89 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 1.46 0.96 0.84 0.00 0.00 18 A 8.19 3.94 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 19 A 8.14 3.92 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 20 L 7.77 3.87 0.00 1.63 1.90 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.26 4.16 0.00 1.72 1.76 0.83 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.20 3.96 0.00 1.91 2.05 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.49 7.81 23 T 7.46 4.35 4.26 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 1.27 0.00 0.00 24 S 7.80 4.51 0.00 4.26 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 0.00 25 S 8.52 4.69 0.00 3.87 3.91 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 26 N 7.92 4.90 0.00 1.95 2.30 0.00 0.00 6.87 7.48 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 27 Y 8.07 5.40 0.00 2.90 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 28 S 9.58 5.14 0.00 3.98 3.80 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 29 V 8.43 5.12 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 0.84 0.00 0.00 0.93 0.00 0.00 30 T 9.04 4.90 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 1.34 0.00 0.00 31 V 8.91 4.77 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 0.96 0.00 0.00 0.92 0.00 0.00 32 A 8.87 5.70 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 33 D 8.29 4.82 0.00 2.67 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 34 H 8.72 4.81 0.00 3.29 3.53 0.00 5.37 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.20 4.59 0.00 2.46 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.66 3.93 0.00 1.67 1.74 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.12 4.30 1.30 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 0.00 0.00 0.00 38 A 8.10 4.19 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 39 L 7.59 4.20 0.00 1.81 1.69 0.97 0.80 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 40 A 7.72 4.53 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.77 3.46 2.21 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 0.96 0.00 0.00 0.93 0.00 0.00 42 L 7.95 4.15 0.00 1.70 1.69 0.92 0.61 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 43 N 7.91 4.71 0.00 2.80 2.87 0.00 0.00 7.25 7.50 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 44 R 7.83 3.88 0.00 1.84 1.95 0.00 3.29 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 *46 G 8.01 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 0.00 0.00 0.00 47 V 7.54 4.20 2.21 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 0.78 0.00 0.00 0.94 0.00 0.00 48 A 8.79 4.31 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 49 T 8.31 5.19 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 1.29 0.00 0.00 50 K 8.56 4.44 0.00 1.91 1.69 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.44 7.81 51 Q 8.82 4.83 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 52 V 9.19 4.64 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 0.93 0.00 0.00 0.95 0.00 0.00 53 D 8.43 5.08 0.00 2.69 2.51 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 54 A 8.86 4.27 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 55 K 8.30 4.04 0.00 1.90 1.87 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.36 7.81 56 D 8.18 4.74 0.00 2.72 2.68 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 0.00 0.00 0.00 0.00 57 E 8.48 3.95 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 2.39 2.37 0.00 58 A 7.99 4.10 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 59 G 8.43 3.61 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 0.00 60 L 8.22 3.95 0.00 1.90 1.83 0.93 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 61 A 7.87 4.01 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 62 K 8.12 4.05 0.00 1.88 1.97 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.47 7.81 63 A 8.14 4.13 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 64 L 7.91 4.76 0.00 1.81 1.82 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 65 G 7.57 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 0.00 0.00 0.00 66 G 8.97 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 0.00 0.00 0.00 67 F 7.22 4.86 0.00 3.39 3.21 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 68 D 9.40 4.86 0.00 3.08 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 69 A 8.13 5.29 1.23 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 70 V 9.39 4.71 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 1.14 0.00 0.00 1.00 0.00 0.00 71 I 8.39 4.88 1.84 0.00 0.00 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 1.06 0.57 1.03 0.00 0.00 72 S 8.72 4.63 0.00 4.16 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 73 A 9.11 4.94 1.18 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 74 A 8.12 4.68 1.18 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 75 P 0.00 4.33 0.00 0.49 1.37 0.00 3.26 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.80 0.00 76 F 8.79 4.17 0.00 3.22 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 77 F 6.32 4.21 0.00 2.81 2.37 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 0.00 78 L 7.51 4.42 0.00 1.64 1.65 0.84 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 79 T 7.69 3.91 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 1.39 0.00 0.00 80 P 0.00 4.34 0.00 2.15 2.09 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 81 I 7.58 3.67 1.99 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.54 0.95 0.00 0.00 82 I 8.01 3.61 1.79 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 1.44 0.75 0.99 0.00 0.00 83 A 7.97 2.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.86 3.80 0.00 1.86 1.97 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.43 7.81 85 A 7.90 3.93 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 86 A 8.08 3.97 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 87 K 8.21 3.87 0.00 1.90 1.95 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.48 7.81 88 A 8.01 4.02 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 89 A 8.28 4.28 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.90 3.79 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 0.00 0.00 0.00 91 A 7.99 4.87 1.37 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 0.00 0.00 0.00 92 H 8.94 4.52 0.00 3.17 3.26 0.00 5.56 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 8.67 5.28 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 94 F 8.28 4.29 0.00 2.96 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 95 D 7.23 4.48 0.00 2.45 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 0.00 0.00 0.00 0.00 96 L 7.38 3.72 0.00 1.71 1.93 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 97 T 7.75 3.69 4.38 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 1.29 0.00 0.00 98 E 8.57 4.00 0.00 2.07 2.14 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 2.27 2.24 0.00 99 D 7.58 4.34 0.00 2.74 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 0.00 100 V 8.22 3.54 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 1.05 0.00 0.00 0.91 0.00 0.00 101 A 8.04 3.93 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 0.00 102 A 8.52 3.93 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 0.00 103 T 8.07 3.75 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 1.21 0.00 0.00 104 N 8.45 4.21 0.00 2.88 2.82 0.00 0.00 6.90 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 0.00 105 A 7.97 3.95 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 0.00 106 V 7.41 3.32 1.73 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 0.76 0.00 0.00 0.09 0.00 0.00 107 R 8.12 3.82 0.00 1.98 1.92 0.00 3.29 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 108 A 8.33 3.93 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 0.00 109 L 8.06 3.82 0.00 1.73 1.80 0.88 1.15 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 0.00 110 V 7.66 3.56 2.20 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 0.88 0.00 0.00 0.98 0.00 0.00 111 E 8.09 4.08 0.00 2.19 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 2.51 2.47 0.00 112 D 8.52 4.36 0.00 2.63 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 0.00 113 S 8.17 4.24 0.00 4.01 4.10 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 0.00 114 Q 7.96 4.46 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 115 T 7.68 4.17 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 * Residues marked with a * may have inaccurate shift predictions.