NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6356 8.4201 118.2202 52.2288 38.5712 178.5815 0 A 4.1220 9.3072 122.0958 51.5062 18.7931 178.1570 2 S 4.0864 8.5519 114.1649 62.2717 63.5072 174.0671 3 A 4.2226 8.3023 124.7801 55.0890 18.2158 178.3891 4 N 5.1470 8.1676 113.3393 53.4158 39.1902 174.0303 5 D 5.1925 8.4148 114.5107 53.3660 42.6615 175.4126 6 K 5.0732 8.3751 120.0869 54.3878 34.9224 174.6240 7 L 4.1526 8.4679 128.8053 53.2224 44.7978 174.8459 8 T 4.9497 8.5146 122.3851 61.7419 71.6298 173.1080 9 I 4.7717 8.6294 126.7720 59.4108 40.2288 174.5620 10 L 4.7107 8.9846 130.7045 53.9885 42.9936 175.4869 11 W 5.4033 9.5849 135.0000 56.7554 31.0289 175.9782 12 T 5.0329 9.1337 118.8520 61.8602 70.7922 175.1408 13 T 4.3967 8.4296 116.0780 62.0808 67.9918 173.1306 14 D 4.9043 8.5099 125.2960 53.0731 39.8864 176.1304 15 N 4.5113 8.3776 119.4957 53.6355 39.2274 175.4760 16 K 3.7858 8.6693 128.9024 59.5176 32.2788 178.8842 17 D 4.4809 8.2344 118.7273 57.8855 40.5827 178.9316 18 T 3.9152 8.1926 115.1119 66.2876 68.6462 176.7904 19 V 3.2811 7.7875 120.3477 65.9040 31.2738 178.2167 20 F 4.3701 7.8782 116.0144 60.5071 39.0085 176.8642 21 N 4.6725 7.8777 112.5902 53.6837 38.7208 175.8183 *23 L 4.2064 7.6819 122.7905 55.1791 43.7671 180.0038 24 A 4.1075 7.8693 119.7327 52.6410 17.8043 178.6976 *26 Y 4.7967 8.0726 122.2311 59.3226 40.8587 177.1023 27 A 3.8281 8.2342 121.3403 55.0556 18.3443 179.6263 28 L 3.8572 8.1454 117.8112 58.0851 41.6955 179.6091 29 N 4.0265 7.9282 115.8481 56.1258 38.5101 177.3935 30 S 3.8281 7.9185 116.8348 61.3850 62.5114 176.8407 31 K 3.8632 7.9708 122.0538 59.7218 31.8122 178.7665 32 N 4.3285 8.0487 115.5612 55.6110 38.5033 176.7304 33 R 4.1731 7.5234 117.1238 55.4165 30.5673 177.2983 34 G 3.8926 7.2294 105.6550 45.5684 0.0000 174.8433 35 W 4.3513 7.7627 121.7241 58.2768 29.1595 176.9091 36 W 4.9454 7.8402 116.8945 54.5566 31.4321 175.5222 37 K 4.2331 9.0418 122.8535 58.9773 32.4642 177.2019 38 H 5.0397 8.6910 116.7391 53.9400 32.9299 172.9869 39 I 4.9095 8.3390 122.3072 59.5725 41.1418 173.4352 40 N 5.4651 8.8915 125.6407 50.8760 41.7388 172.9886 41 I 5.0085 8.8228 126.6643 59.6255 40.5620 174.3745 42 I 4.8836 9.0100 128.2831 59.7244 39.4256 174.7508 43 L 4.8090 9.0813 128.8394 53.6019 43.0703 176.2146 44 W 4.9666 9.1229 134.4721 58.2664 34.2305 171.6733 45 G 4.2689 9.6005 113.6471 44.0794 0.0000 174.4850 46 A 4.0420 9.0603 120.1612 55.2693 18.2623 179.6778 47 S 3.9528 8.1318 112.9152 61.6409 62.6348 177.1187 48 V 3.4352 7.8677 121.7439 65.7516 31.1473 178.2028 49 K 3.9388 8.0014 117.8284 59.1188 31.9078 178.8623 50 L 3.8999 7.6497 120.1437 58.2850 41.8464 179.2441 51 V 3.5619 7.6392 116.6399 65.9785 31.4843 177.5497 52 A 4.1173 7.8816 119.5698 54.3508 18.2781 178.3255 53 N 4.9587 7.7443 112.5954 52.0684 40.2919 174.1657 54 D 4.8773 7.7469 120.9447 52.2543 42.3854 176.6747 55 T 3.9684 8.5408 118.8391 64.9648 68.4545 176.3517 56 Q 4.0685 8.2713 120.5090 58.8172 28.8190 178.6468 57 V 3.8712 8.5063 119.3254 66.1821 31.5676 177.9839 58 Q 4.0840 8.3967 117.8594 59.3656 28.5634 178.9842 59 T 3.9262 8.0825 116.6592 66.8146 68.2808 176.4307 60 E 4.0674 7.8989 118.9474 59.4127 29.5777 178.9935 61 I 3.9840 7.8226 118.8473 64.6236 37.5268 178.1254 62 L 4.2255 8.1417 119.6402 57.5612 41.5255 179.8154 63 E 4.2039 8.0274 116.9871 56.7259 29.4544 178.3676 *65 L 4.4938 7.9214 119.2732 54.4479 43.7001 179.3443 66 Q 4.0557 8.1862 116.8208 58.7348 28.6655 177.6835 67 S 4.1862 7.8111 110.5882 59.2760 63.3655 175.0636 68 G 3.9947 7.8932 109.6740 44.8238 0.0000 173.7372 69 I 4.1061 6.9991 120.0555 61.5243 37.3097 175.8376 70 T 4.5579 8.7384 117.0066 60.8507 71.1895 173.8196 71 I 5.2596 8.1983 123.5521 59.7028 41.4598 173.9239 72 E 5.2874 9.3947 124.0806 54.4284 33.3851 174.4784 73 A 5.0683 9.0356 122.9478 49.7486 22.8617 174.9502 74 C 3.6291 8.3892 121.6499 59.6185 31.6791 174.5444 75 Q 3.6814 8.6890 128.2490 59.0145 28.5464 177.8087 76 D 4.3816 7.8806 119.5547 57.5201 40.8570 178.2768 77 C 3.3295 7.5961 116.4657 62.8606 28.0916 175.7617 78 C 3.9991 7.8516 118.1617 62.9603 27.5480 176.2164 79 E 3.9746 8.2979 120.2982 59.4038 28.8616 179.1234 80 N 4.3584 8.2976 115.9992 55.9239 38.6844 176.7503 81 F 4.8989 8.1912 117.2978 57.0367 39.5426 175.7501 82 G 3.9008 7.8183 106.7179 47.2652 0.0000 174.6440 83 V 4.3961 8.2655 109.5112 59.9716 33.4309 177.6911 84 A 3.9370 8.2270 124.8316 55.3555 17.9880 180.4374 85 S 4.0253 7.9737 112.0649 61.6480 62.9004 176.6250 86 I 3.6783 7.6086 121.9283 64.0731 37.2988 178.0641 87 I 3.8428 7.8887 120.6075 64.6910 36.9264 178.6144 88 T 4.1300 8.0124 118.1506 66.2472 68.0657 176.4527 89 N 4.3994 8.1403 117.0382 55.7585 38.6053 176.7249 90 L 4.2891 7.4908 118.3802 55.4353 41.9283 177.7706 91 G 3.9630 8.0020 107.4101 44.9618 0.0000 173.3669 92 I 4.2615 7.3680 120.4814 60.7856 38.9642 175.1833 93 T 4.3358 8.6778 123.6021 63.3633 69.5282 173.6310 94 V 4.6855 8.2029 127.0228 61.1636 33.0752 174.7573 95 R 4.6139 8.0868 122.5440 55.4347 33.3174 174.0396 96 Y 4.4565 7.9054 118.1208 58.0644 38.8999 176.3390 *98 G 4.1562 8.6420 107.3909 46.1905 0.0000 175.4646 99 I 3.6095 7.7056 121.0006 63.4562 37.1110 176.3735 100 P 3.7595 0.0000 0.0000 65.4703 31.1106 178.3114 101 L 3.9674 7.7569 118.2611 58.4084 42.0276 178.7876 102 T 3.8687 7.8364 115.6289 66.8359 68.3571 176.3385 103 E 3.9608 8.3253 120.6228 59.6052 29.4521 178.9930 104 Y 4.4075 7.9549 117.0864 61.2133 37.9523 178.8663 105 L 4.0470 8.2474 119.8428 57.8786 41.5650 179.7574 106 K 4.0715 8.2761 117.5678 59.3149 32.0665 178.3922 107 N 4.6999 8.3715 114.4655 53.0915 38.6872 175.3172 108 G 3.8827 8.0087 108.5051 46.2802 0.0000 174.0716 109 E 4.1580 7.9302 118.1963 56.1208 30.5933 177.2803 110 K 4.3121 8.4958 121.6476 55.9380 33.4072 175.9882 111 I 4.8954 8.2128 125.8538 59.4154 40.2046 175.0504 112 L 4.4736 8.7667 128.5446 53.6368 43.0551 176.1365 113 S 4.9667 8.6973 119.9195 57.1204 64.1339 174.2907 114 I 4.2159 8.8307 125.9871 61.2546 37.6309 175.8022 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 N 8.42 4.64 0.00 2.86 2.14 0.00 0.00 6.02 6.38 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 A 9.31 4.12 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 2 S 8.55 4.09 0.00 4.13 4.09 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 3 A 8.30 4.22 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 4 N 8.17 5.15 0.00 2.70 2.80 0.00 0.00 6.88 8.47 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 5 D 8.41 5.19 0.00 2.96 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 6 K 8.38 5.07 0.00 1.77 1.65 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.61 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.15 1.34 7.81 7 L 8.47 4.15 0.00 0.27 0.62 0.57 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.51 4.95 4.20 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 0.00 0.00 0.00 1.08 0.00 0.00 9 I 8.63 4.77 1.90 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 1.10 0.69 0.96 0.00 0.00 10 L 8.98 4.71 0.00 1.84 1.62 1.08 1.02 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 11 W 9.58 5.40 0.00 3.44 3.23 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 12 T 9.13 5.03 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 1.24 0.00 0.00 13 T 8.43 4.40 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 1.35 0.00 0.00 14 D 8.51 4.90 0.00 2.80 2.72 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 15 N 8.38 4.51 0.00 2.81 2.78 0.00 0.00 7.23 6.58 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 16 K 8.67 3.79 0.00 1.95 2.07 0.00 1.82 0.00 0.00 1.93 0.00 0.00 3.39 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.50 1.57 7.81 17 D 8.23 4.48 0.00 2.91 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 18 T 8.19 3.92 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 1.15 0.00 0.00 19 V 7.79 3.28 1.75 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 0.60 0.00 0.00 0.95 0.00 0.00 20 F 7.88 4.37 0.00 3.08 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 21 N 7.88 4.67 0.00 2.92 2.88 0.00 0.00 7.02 7.34 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 *23 L 7.68 4.21 0.00 1.37 1.39 0.12 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.87 4.11 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 *26 Y 8.07 4.80 0.00 3.11 3.10 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 27 A 8.23 3.83 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 28 L 8.15 3.86 0.00 1.76 1.67 1.04 0.65 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 29 N 7.93 4.03 0.00 2.65 2.34 0.00 0.00 7.08 7.57 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 30 S 7.92 3.83 0.00 3.87 4.14 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 31 K 7.97 3.86 0.00 1.89 1.84 0.00 1.51 0.00 0.00 1.64 0.00 0.00 3.12 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.50 7.81 32 N 8.05 4.33 0.00 2.61 2.72 0.00 0.00 7.07 8.18 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 33 R 7.52 4.17 0.00 0.67 1.42 0.00 2.21 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.20 0.00 34 G 7.23 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 35 W 7.76 4.35 0.00 3.29 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 36 W 7.84 4.95 0.00 3.24 3.24 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 37 K 9.04 4.23 0.00 1.72 1.70 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.49 7.81 38 H 8.69 5.04 0.00 3.16 3.16 0.00 5.75 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.34 4.91 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.83 0.82 0.00 0.00 40 N 8.89 5.47 0.00 2.66 2.43 0.00 0.00 6.86 7.25 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 41 I 8.82 5.01 2.02 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 1.27 0.60 1.29 0.00 0.00 42 I 9.01 4.88 2.09 0.00 0.00 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 1.62 0.80 1.22 0.00 0.00 43 L 9.08 4.81 0.00 1.43 1.39 0.70 -0.71 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 44 W 9.12 4.97 0.00 3.42 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 45 G 9.60 4.27 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 0.00 46 A 9.06 4.04 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 0.00 0.00 0.00 0.00 0.00 47 S 8.13 3.95 0.00 2.81 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 48 V 7.87 3.44 2.48 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 1.10 0.00 0.00 0.89 0.00 0.00 49 K 8.00 3.94 0.00 1.80 1.67 0.00 1.24 0.00 0.00 1.36 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.07 0.44 7.81 50 L 7.65 3.90 0.00 1.76 1.79 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 51 V 7.64 3.56 1.89 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 0.81 0.00 0.00 0.52 0.00 0.00 52 A 7.88 4.12 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 53 N 7.74 4.96 0.00 2.72 2.85 0.00 0.00 6.79 8.67 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 54 D 7.75 4.88 0.00 2.73 2.66 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 0.00 0.00 0.00 0.00 55 T 8.54 3.97 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 1.24 0.00 0.00 56 Q 8.27 4.07 0.00 2.50 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 57 V 8.51 3.87 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 1.23 0.00 0.00 0.97 0.00 0.00 58 Q 8.40 4.08 0.00 2.36 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.55 0.00 0.00 0.00 0.00 0.00 2.44 2.70 0.00 59 T 8.08 3.93 4.48 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 1.24 0.00 0.00 60 E 7.90 4.07 0.00 2.31 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 2.70 2.90 0.00 61 I 7.82 3.98 2.13 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.82 0.97 0.00 0.00 62 L 8.14 4.23 0.00 1.86 1.74 0.94 0.74 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 63 E 8.03 4.20 0.00 2.09 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 2.35 0.00 *65 L 7.92 4.49 0.00 1.93 1.75 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 8.19 4.06 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 67 S 7.81 4.19 0.00 4.14 4.06 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 68 G 7.89 3.99 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 0.00 0.00 0.00 69 I 7.00 4.11 1.88 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 1.26 0.56 0.93 0.00 0.00 70 T 8.74 4.56 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 1.23 0.00 0.00 71 I 8.20 5.26 1.91 0.00 0.00 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 1.49 0.96 0.98 0.00 0.00 72 E 9.39 5.29 0.00 1.97 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 2.37 2.30 0.00 73 A 9.04 5.07 1.08 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 0.00 0.00 74 C 8.39 3.63 0.00 1.70 2.23 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 75 Q 8.69 3.68 0.00 1.71 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.58 0.00 0.00 0.00 0.00 0.00 1.85 2.04 0.00 76 D 7.88 4.38 0.00 2.60 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.60 3.33 0.00 2.81 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 78 C 7.85 4.00 0.00 2.93 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 79 E 8.30 3.97 0.00 2.00 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 2.27 2.41 0.00 80 N 8.30 4.36 0.00 2.33 2.85 0.00 0.00 7.07 7.44 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 81 F 8.19 4.90 0.00 2.98 2.95 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 82 G 7.82 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 83 V 8.27 4.40 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 0.83 0.00 0.00 1.05 0.00 0.00 84 A 8.23 3.94 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 85 S 7.97 4.03 0.00 4.04 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 86 I 7.61 3.68 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.53 0.91 0.00 0.00 87 I 7.89 3.84 1.81 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 1.70 1.14 0.84 0.00 0.00 88 T 8.01 4.13 4.27 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 1.18 0.00 0.00 89 N 8.14 4.40 0.00 2.89 2.88 0.00 0.00 7.12 7.43 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 90 L 7.49 4.29 0.00 1.80 1.73 0.92 1.05 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 91 G 8.00 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 92 I 7.37 4.26 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.12 0.90 0.00 0.00 93 T 8.68 4.34 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 1.17 0.00 0.00 94 V 8.20 4.69 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 0.61 0.00 0.00 0.83 0.00 0.00 95 R 8.09 4.61 0.00 1.79 1.84 0.00 3.05 0.00 0.00 3.22 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.34 0.00 96 Y 7.91 4.46 0.00 2.86 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 *98 G 8.64 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 99 I 7.71 3.61 1.83 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 1.62 0.93 0.86 0.00 0.00 100 P 0.00 3.76 0.00 1.95 1.81 0.00 3.53 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 2.13 2.05 0.00 101 L 7.76 3.97 0.00 2.08 1.88 1.11 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 102 T 7.84 3.87 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 1.21 0.00 0.00 103 E 8.33 3.96 0.00 1.88 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 2.41 2.43 0.00 104 Y 7.95 4.41 0.00 3.13 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 0.00 105 L 8.25 4.05 0.00 1.89 1.74 0.97 0.67 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 0.00 106 K 8.28 4.07 0.00 1.84 1.89 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.67 7.81 107 N 8.37 4.70 0.00 2.81 2.92 0.00 0.00 7.05 7.98 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 0.00 108 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 0.00 109 E 7.93 4.16 0.00 2.05 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 0.00 2.36 2.53 0.00 110 K 8.50 4.31 0.00 1.54 1.69 0.00 1.87 0.00 0.00 2.08 0.00 0.00 3.18 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.51 7.81 111 I 8.21 4.90 1.87 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 1.32 0.59 0.93 0.00 0.00 112 L 8.77 4.47 0.00 1.58 1.58 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.70 4.97 0.00 3.86 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 0.00 114 I 8.83 4.22 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.75 0.86 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.