NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2340 8.3144 121.7902 56.0377 33.1378 175.0195 2 E 4.0219 8.4708 127.1890 53.8436 30.6057 174.6899 3 S 4.3492 8.8063 122.4128 57.7846 66.4255 174.7580 4 A 4.0359 8.5070 123.6832 55.2724 18.1630 179.8378 5 A 4.1610 8.0238 118.6368 55.3545 18.5543 179.5974 6 A 4.0334 8.1761 119.3786 55.0854 18.4283 179.8047 7 K 4.1770 8.2887 119.6843 59.0171 32.1785 178.8775 8 F 4.0933 8.5174 121.0393 61.2795 39.3357 176.9535 9 E 4.0712 8.4174 118.1630 59.4890 29.0880 179.3120 10 R 3.8837 7.8784 117.3813 59.6616 30.2420 178.2574 11 Q 3.9321 7.8850 116.4748 57.8280 29.0724 176.4399 12 H 4.5657 7.9847 113.7425 54.0196 30.6825 172.7752 13 M 4.8857 7.8005 119.8819 53.8460 33.9051 176.6035 14 D 4.7324 9.0119 122.8100 52.6110 42.0507 174.5644 15 S 4.5463 7.5211 114.8591 59.0792 64.8644 173.4958 16 G 3.8388 8.1754 121.0619 45.7869 0.0000 176.1243 *22 S 4.2444 8.6165 120.0061 57.4273 63.7758 174.8461 23 S 4.1899 8.8176 119.0122 60.8664 63.0648 174.5522 24 N 4.7736 8.0755 117.2818 53.3288 38.9465 175.6461 25 Y 4.0209 8.3176 121.4920 61.3602 38.6271 177.8872 26 C 4.1563 8.4240 117.0038 59.9999 40.0723 175.8401 27 N 4.3936 8.1377 116.7020 56.1925 38.2455 176.8175 28 L 4.0027 7.5736 120.4784 58.5312 42.3471 178.6653 29 M 3.9056 7.4069 117.2778 57.8511 33.2372 178.2600 30 M 4.3266 7.8332 119.7785 55.4610 27.5204 177.3511 *33 R 4.2984 7.3627 114.2415 54.9608 32.4481 176.1761 34 K 3.8881 8.0015 115.1048 58.1224 29.5658 175.7314 35 M 4.5080 8.3560 116.4101 55.4513 31.9724 177.2334 36 T 4.8806 7.7058 107.2855 60.4783 69.3728 173.3040 37 Q 4.5637 8.4772 121.4425 56.8989 29.8171 173.8052 38 G 4.1142 10.9401 112.4637 45.3979 0.0000 172.6976 39 K 3.2772 6.8189 115.4070 55.6990 34.7173 174.6200 40 C 4.7644 8.6047 117.5697 55.4915 40.4209 173.9769 41 K 4.1353 8.6482 127.6337 55.9136 32.3180 174.9444 42 P 4.7148 0.0000 0.0000 65.5978 32.4908 176.3792 43 V 5.0927 7.6100 117.7572 61.4737 34.7948 173.6208 44 N 4.8527 9.1705 124.1091 52.7511 42.5457 172.9624 45 T 4.8752 7.8036 119.3919 61.6225 72.3821 172.7682 46 F 4.8428 8.9369 123.9742 55.6336 42.2846 174.5714 47 V 4.5937 8.8837 122.4014 60.9850 34.0479 175.6540 48 H 5.6807 8.8588 126.3010 55.4768 28.5614 174.4026 49 E 4.7421 8.0666 116.7781 53.8975 32.8501 175.8903 50 S 4.3429 8.2270 114.6305 58.2328 65.0483 174.8754 51 L 3.9989 8.5432 124.4020 58.3510 41.9021 179.1226 52 A 4.0162 8.0184 120.1911 55.4851 18.1463 179.2523 53 D 4.3518 8.0431 116.1107 57.2859 41.1169 178.9424 54 V 3.8110 7.8917 119.0305 65.9172 31.6392 178.2747 55 K 3.9068 8.6292 118.4174 59.2758 31.8527 178.9261 56 A 4.0800 8.0020 120.4951 54.3236 18.1358 179.6291 57 V 3.7790 7.6905 117.2051 65.9359 31.3552 176.9622 58 C 3.8740 7.8502 115.0715 58.0906 39.8755 174.1738 59 S 4.5579 7.3910 114.1262 57.7934 63.8933 174.8339 60 Q 4.5558 7.6842 121.7879 55.9495 28.1013 176.3930 61 K 4.1850 8.4197 126.5637 57.2586 33.0596 176.6668 62 K 4.2630 8.7018 129.5036 56.5453 32.9263 176.0091 63 V 4.5173 8.0457 118.8912 60.2220 36.2766 174.6025 64 T 4.1585 8.2219 118.4075 63.2247 69.3759 175.9612 65 C 4.7320 8.8975 122.6386 56.1752 41.1579 175.1904 66 K 3.7565 9.1290 122.2207 59.5742 31.6444 178.0893 67 N 4.5532 8.0242 113.1841 52.9673 37.6198 175.6649 68 G 3.9799 8.1419 108.5124 45.5743 0.0000 174.4308 69 Q 4.1733 8.5800 119.3531 56.3714 29.1912 176.5974 70 T 4.4653 8.2531 108.7279 61.6211 69.2456 173.6078 71 N 4.8178 7.8700 118.8693 54.1666 38.4392 175.0166 72 C 5.3994 7.8501 115.5932 56.7138 44.6911 172.6656 73 Y 5.1604 8.8081 118.0360 56.4171 41.8496 173.8905 74 Q 5.1481 9.1399 124.7588 53.9675 31.5193 174.9869 75 S 4.6258 8.8452 121.9452 58.3605 63.0752 174.9383 76 K 4.1627 9.5513 122.6283 59.0360 32.6974 176.9900 77 S 4.8071 7.6160 113.5775 56.0254 66.2137 173.3941 78 T 4.0948 7.9829 111.7296 62.2231 69.7115 173.3884 79 M 5.0247 9.0491 121.4198 53.5139 37.1599 174.8711 80 R 4.6296 9.1223 120.6720 55.9230 31.2150 175.9489 81 I 5.0905 8.8372 117.0700 59.3874 42.0529 174.3043 82 T 5.0023 8.6550 118.5204 62.0193 72.0029 172.8380 83 D 5.1370 9.3235 127.0965 53.2291 43.1249 174.7896 84 C 5.6199 9.3699 120.8799 55.3129 41.3927 173.1738 85 R 5.2675 8.8637 122.4458 53.9128 33.5700 174.7179 86 E 4.0387 9.2440 125.6495 56.7019 30.5263 176.6479 87 T 4.3090 8.6552 117.2490 60.3749 70.6665 176.0454 88 G 3.6478 8.6924 110.9961 48.5335 0.0000 175.0637 89 S 4.2603 7.3969 112.7939 59.4755 63.5678 174.6974 90 S 3.9780 7.2909 116.3238 58.5139 62.5779 173.7479 91 K 4.1983 8.7647 127.6917 55.5708 33.8357 174.0398 92 Y 4.3472 8.7505 127.9605 57.9381 38.9749 173.9182 93 P 3.1571 0.0000 0.0000 62.4975 31.8718 176.7514 94 N 4.7417 7.8430 119.0450 52.3266 37.3927 173.7163 95 C 4.6784 7.8823 117.2829 56.8298 40.7493 173.2337 96 A 4.9752 8.0623 122.8605 50.9433 22.4188 174.9614 97 Y 5.1749 9.2629 118.9611 56.0560 42.3461 174.7761 98 K 4.5188 9.5003 124.3087 55.5608 34.0862 175.1726 99 T 4.9845 8.5927 124.2736 62.7092 70.1144 174.2964 100 T 4.5745 8.8325 122.7779 61.8571 71.9692 173.1929 101 Q 4.7980 8.7395 125.9184 55.6327 30.1607 175.6877 102 V 4.4847 8.7578 115.2879 60.5985 37.3166 172.9326 103 E 5.1323 8.6944 120.4440 54.9609 31.7421 175.6373 104 K 4.7896 8.6826 122.7448 54.9134 37.6568 175.6911 105 H 4.8582 9.2407 118.8027 55.6767 30.1766 174.8202 106 I 4.9487 8.4541 113.9725 59.2515 40.8802 174.3500 107 I 4.9287 8.3585 124.4436 59.7268 40.2448 175.0524 108 V 4.8501 8.7317 119.1557 59.3933 36.0692 174.5539 109 A 4.9629 8.9479 124.8706 51.2756 20.7119 175.7631 110 C 5.3905 8.9722 117.9074 55.4512 45.0241 173.6349 111 G 4.0158 9.2931 108.6209 46.2415 0.0000 173.1133 112 G 4.3257 9.2027 106.1833 44.8675 0.0000 172.6114 113 K 4.5759 7.9936 116.7859 53.4393 34.0956 175.0287 114 P 4.3325 0.0000 0.0000 62.1896 31.9289 176.0913 115 S 4.7361 8.3178 115.0287 58.3123 62.6882 173.4591 116 V 4.5347 8.6004 119.7473 58.4186 36.2709 173.3027 117 P 4.4645 0.0000 0.0000 63.0075 31.1743 176.9082 118 V 4.4953 8.4980 116.0715 60.9957 33.4930 175.1120 119 H 4.8257 7.8291 118.2236 55.2940 33.2897 172.1680 120 F 4.5971 8.9640 128.6448 57.7034 39.0760 174.2544 121 D 4.6019 8.4072 127.2537 56.1267 42.1606 175.8220 122 A 4.5727 6.3769 117.7195 51.5649 22.2575 175.0896 123 S 5.2986 8.9013 113.4263 56.7067 66.2432 174.6194 124 V 4.1411 8.9262 120.8950 62.1145 31.5492 174.9992 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 K 8.31 4.23 0.00 1.74 1.80 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.39 7.81 2 E 8.47 4.02 0.00 2.14 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 2.40 2.39 0.00 3 S 8.81 4.35 0.00 4.11 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.51 4.04 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 5 A 8.02 4.16 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 6 A 8.18 4.03 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 7 K 8.29 4.18 0.00 2.05 2.06 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.31 7.81 8 F 8.52 4.09 0.00 3.25 3.25 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 9 E 8.42 4.07 0.00 2.33 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 0.00 2.55 2.74 0.00 10 R 7.88 3.88 0.00 1.82 2.09 0.00 3.36 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 11 Q 7.89 3.93 0.00 1.48 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.46 0.00 0.00 0.00 0.00 0.00 2.23 2.47 0.00 12 H 7.98 4.57 0.00 2.15 2.70 0.00 5.60 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 13 M 7.80 4.89 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.73 0.00 14 D 9.01 4.73 0.00 2.73 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.52 4.55 0.00 3.94 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 16 G 8.18 3.84 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 0.00 0.00 0.00 *22 S 8.62 4.24 0.00 4.07 4.08 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 0.00 0.00 0.00 0.00 23 S 8.82 4.19 0.00 4.03 4.08 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 0.00 0.00 0.00 0.00 24 N 8.08 4.77 0.00 2.79 2.87 0.00 0.00 6.77 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 25 Y 8.32 4.02 0.00 3.12 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 26 C 8.42 4.16 0.00 3.17 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 27 N 8.14 4.39 0.00 2.88 2.93 0.00 0.00 6.84 7.85 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 28 L 7.57 4.00 0.00 1.53 1.60 0.85 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 29 M 7.41 3.91 0.00 0.99 1.22 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.55 0.00 30 M 7.83 4.33 0.00 1.65 1.79 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.39 0.00 *33 R 7.36 4.30 0.00 1.98 2.15 0.00 3.71 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 34 K 8.00 3.89 0.00 1.90 1.91 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.34 1.39 7.81 35 M 8.36 4.51 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 36 T 7.71 4.88 4.42 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 1.42 0.00 0.00 37 Q 8.48 4.56 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.60 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 38 G 10.94 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 K 6.82 3.28 0.00 1.68 1.58 0.00 1.42 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.23 1.34 7.81 40 C 8.60 4.76 0.00 3.11 3.17 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 41 K 8.65 4.14 0.00 1.85 1.77 0.00 1.75 0.00 0.00 1.65 0.00 0.00 3.20 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.39 7.81 42 P 0.00 4.71 0.00 2.19 2.32 0.00 3.75 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 43 V 7.61 5.09 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 0.78 0.00 0.00 0.98 0.00 0.00 44 N 9.17 4.85 0.00 2.61 2.25 0.00 0.00 6.86 8.07 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 45 T 7.80 4.88 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 0.91 0.00 0.00 46 F 8.94 4.84 0.00 3.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.88 4.59 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 1.16 0.00 0.00 1.04 0.00 0.00 48 H 8.86 5.68 0.00 3.04 3.27 0.00 5.62 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.07 4.74 0.00 2.02 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 2.33 2.24 0.00 50 S 8.23 4.34 0.00 4.07 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 51 L 8.54 4.00 0.00 1.84 1.75 1.03 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.02 4.02 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 53 D 8.04 4.35 0.00 2.82 2.77 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 54 V 7.89 3.81 2.32 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 1.24 0.00 0.00 1.06 0.00 0.00 55 K 8.63 3.91 0.00 1.90 1.79 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.67 7.81 56 A 8.00 4.08 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 57 V 7.69 3.78 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 1.17 0.00 0.00 1.00 0.00 0.00 58 C 7.85 3.87 0.00 2.94 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 59 S 7.39 4.56 0.00 3.86 3.74 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 60 Q 7.68 4.56 0.00 2.22 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 61 K 8.42 4.18 0.00 1.91 1.88 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.39 7.81 62 K 8.70 4.26 0.00 1.77 1.57 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.06 0.63 7.81 63 V 8.05 4.52 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 0.69 0.00 0.00 0.83 0.00 0.00 64 T 8.22 4.16 4.19 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 1.24 0.00 0.00 65 C 8.90 4.73 0.00 3.08 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 66 K 9.13 3.76 0.00 1.85 1.89 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.64 1.55 7.81 67 N 8.02 4.55 0.00 2.81 2.90 0.00 0.00 6.31 7.00 0.00 0.00 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 G 8.14 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 0.00 0.00 0.00 69 Q 8.58 4.17 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.72 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 70 T 8.25 4.47 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 1.16 0.00 0.00 71 N 7.87 4.82 0.00 2.98 3.08 0.00 0.00 6.04 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 72 C 7.85 5.40 0.00 2.90 2.89 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 73 Y 8.81 5.16 0.00 2.87 2.88 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 74 Q 9.14 5.15 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.98 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 75 S 8.85 4.63 0.00 3.96 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 76 K 9.55 4.16 0.00 1.88 2.02 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.43 7.81 77 S 7.62 4.81 0.00 3.81 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 78 T 7.98 4.09 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 1.19 0.00 0.00 79 M 9.05 5.02 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 80 R 9.12 4.63 0.00 1.81 1.91 0.00 3.06 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 81 I 8.84 5.09 1.97 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.96 1.03 0.00 0.00 82 T 8.65 5.00 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 1.27 0.00 0.00 83 D 9.32 5.14 0.00 2.59 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 84 C 9.37 5.62 0.00 2.83 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 85 R 8.86 5.27 0.00 1.81 1.83 0.00 3.18 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 86 E 9.24 4.04 0.00 2.08 1.76 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 2.07 1.74 0.00 87 T 8.66 4.31 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 1.23 0.00 0.00 88 G 8.69 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 89 S 7.40 4.26 0.00 3.80 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 90 S 7.29 3.98 0.00 3.84 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 91 K 8.76 4.20 0.00 1.80 1.61 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.38 7.81 92 Y 8.75 4.35 0.00 2.96 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 93 P 0.00 3.16 0.00 1.71 1.11 0.00 3.63 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 94 N 7.84 4.74 0.00 2.81 2.73 0.00 0.00 7.05 7.54 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 95 C 7.88 4.68 0.00 3.10 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 96 A 8.06 4.98 1.12 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 97 Y 9.26 5.17 0.00 2.95 2.89 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 98 K 9.50 4.52 0.00 1.84 1.74 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.44 7.81 99 T 8.59 4.98 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 1.29 0.00 0.00 100 T 8.83 4.57 4.28 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 1.23 0.00 0.00 101 Q 8.74 4.80 0.00 1.90 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.74 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 102 V 8.76 4.48 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 0.69 0.00 0.00 1.00 0.00 0.00 103 E 8.69 5.13 0.00 1.81 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 2.20 2.30 0.00 104 K 8.68 4.79 0.00 1.76 1.96 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.45 7.81 105 H 9.24 4.86 0.00 3.20 3.23 0.00 5.56 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 0.00 106 I 8.45 4.95 1.83 0.00 0.00 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 1.29 0.95 1.15 0.00 0.00 107 I 8.36 4.93 1.71 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 1.17 0.75 0.86 0.00 0.00 108 V 8.73 4.85 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 0.73 0.00 0.00 0.89 0.00 0.00 109 A 8.95 4.96 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 0.00 110 C 8.97 5.39 0.00 2.93 2.89 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 0.00 111 G 9.29 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 0.00 112 G 9.20 4.33 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 0.00 113 K 7.99 4.58 0.00 1.69 1.71 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.32 7.81 114 P 0.00 4.33 0.00 2.14 2.03 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 115 S 8.32 4.74 0.00 3.85 3.73 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 0.00 116 V 8.60 4.53 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 0.70 0.00 0.00 0.94 0.00 0.00 117 P 0.00 4.46 0.00 0.49 1.08 0.00 3.35 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 118 V 8.50 4.50 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 0.64 0.00 0.00 0.98 0.00 0.00 119 H 7.83 4.83 0.00 3.28 3.15 0.00 5.85 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.96 4.60 0.00 2.48 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.41 4.60 0.00 2.64 2.61 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 0.00 122 A 6.38 4.57 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 0.00 123 S 8.90 5.30 0.00 4.03 4.08 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 0.00 0.00 0.00 0.00 124 V 8.93 4.14 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 0.72 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.