NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 Q 4.0769 8.3444 118.8288 56.7238 29.8862 170.1729 6 V 3.2033 8.5455 125.6274 61.9507 30.7072 167.6179 7 E 4.8548 9.3463 127.3015 54.5291 34.1977 174.7183 8 I 4.8426 8.4129 122.6616 59.5316 40.9422 175.1236 9 S 4.8544 8.8457 126.6201 57.8360 62.0025 176.1755 *11 A 4.3354 8.8150 120.5312 52.1124 20.0870 179.1130 12 E 4.0651 8.4216 115.2872 58.9479 29.7651 179.2173 13 W 3.8562 8.2197 128.3334 60.2432 31.2608 176.7904 14 D 4.5966 8.0957 117.2040 57.5189 40.5216 179.3386 15 V 3.5883 7.5268 116.1565 63.3350 30.7364 177.2801 *17 N 4.9797 8.1938 117.3371 53.0035 40.1619 176.7526 18 I 3.9973 7.4158 117.5121 64.3577 37.0875 178.5734 19 I 3.7010 7.5268 120.5678 64.3032 36.7648 178.6612 20 W 4.4786 7.8824 117.8664 59.5581 28.9098 177.7231 21 D 4.6089 7.8999 117.3754 54.3388 39.2423 176.3342 22 K 4.7564 7.3015 118.3884 53.9297 35.6422 176.2046 23 K 4.1867 8.7977 122.5675 59.3873 32.3757 177.1137 24 S 5.1903 7.6845 109.7561 57.5452 65.7483 174.1843 25 V 4.8691 8.8915 120.6814 60.4280 35.0082 174.2549 26 S 4.7390 9.0752 117.3861 57.1893 64.3454 174.8259 27 A 3.8861 8.8010 122.7231 55.4993 17.9372 179.9319 28 N 4.2503 7.9829 114.4840 56.4037 38.6533 177.0722 29 E 3.9082 8.0519 120.3018 59.1368 29.7201 178.7846 30 I 3.6187 7.7718 119.8715 64.4139 36.9912 178.3039 31 V 3.5293 7.5003 117.3751 66.0783 31.7225 177.7100 32 V 3.7175 7.9405 117.8791 66.1803 31.3106 177.5296 33 E 3.9346 8.2719 118.0066 59.8356 29.1735 179.4698 34 I 3.7234 7.7643 119.4115 64.6683 36.9289 178.1191 35 Q 4.5579 7.6977 118.0907 56.9607 28.8345 177.3498 36 K 4.3758 7.9542 119.1462 57.7835 32.4649 176.7758 37 Y 4.7990 7.4571 111.4469 58.6867 41.8095 173.4631 38 K 4.4312 7.7032 120.6751 55.7161 36.8441 176.2383 39 E 4.4744 8.2651 126.9027 53.5674 28.5069 176.6090 40 V 3.1434 8.1858 126.2108 62.1986 31.7648 172.3916 41 S 4.5101 7.8492 122.1695 57.4981 65.2873 174.7734 42 D 4.3185 8.5181 121.6147 57.5296 40.5186 179.2307 43 K 3.9193 8.0119 118.4558 59.8155 32.1086 179.3750 44 T 3.8932 7.5449 108.6495 64.7443 68.5821 176.5505 45 I 3.6237 7.6763 122.5747 64.3138 37.0676 178.6259 46 R 3.8191 8.1177 118.8509 59.4895 29.8379 179.3077 47 T 3.8443 7.9048 115.6395 66.4428 68.3984 176.7541 48 L 3.9416 7.9794 121.0285 57.7446 41.5836 179.6039 49 I 3.4477 7.8389 119.9028 64.6308 37.0469 178.5048 50 T 3.8942 7.9942 116.7682 66.6379 68.2597 176.5245 51 R 3.8358 7.9411 120.3694 59.5317 30.1469 178.5145 52 L 3.9254 7.9425 118.7119 57.8719 41.5095 178.9610 53 Y 4.3182 8.3795 119.8105 60.8096 38.5846 178.2191 54 K 3.7238 8.3687 118.4097 59.0912 32.2275 178.6439 55 K 4.1633 7.9650 115.8945 55.9548 32.1700 176.9147 56 E 3.8549 7.7557 117.6975 57.4435 27.6035 175.6232 57 I 4.1484 7.8816 122.9794 63.1223 38.2713 175.7833 58 I 5.2528 7.7553 113.3536 58.7552 40.9671 174.3716 59 K 5.1977 9.2290 121.5305 55.5198 36.3955 174.9474 60 R 5.0884 8.5107 115.3469 55.0731 32.2197 173.3745 61 Y 5.0521 8.3908 117.8999 55.1669 42.1404 173.7672 62 K 4.8560 8.8771 120.5956 54.6367 34.5710 175.0499 63 S 4.6782 9.3738 121.8541 57.9062 65.1702 173.6165 64 E 3.7389 9.9012 127.0756 57.6178 26.8795 175.1043 65 N 4.1646 8.2140 112.5510 53.8109 38.2212 172.7225 66 I 4.2355 7.7446 118.1320 59.9449 39.7460 174.3895 67 Y 4.6371 7.8809 123.8952 57.5343 39.4716 174.2630 68 F 4.6998 8.5000 122.7213 55.7725 42.1883 173.9778 69 Y 5.0463 9.0241 121.7309 56.9257 40.1480 174.9680 70 S 5.0903 9.2168 117.6108 56.5538 67.9766 173.5278 71 S 4.3957 8.8112 116.5743 58.3374 62.9993 173.0782 72 N 5.2207 8.9623 124.2540 53.0283 39.7724 173.6246 73 I 4.6586 7.9236 114.8571 57.6156 41.5765 175.1357 74 K 4.1635 8.6351 126.1954 55.7876 32.7109 177.3974 75 E 2.9305 8.4832 125.6944 59.2397 29.0508 178.2373 76 D 4.2393 7.7169 115.8114 57.3856 41.3356 177.5681 77 D 4.4816 7.8188 118.0296 57.4431 41.2460 178.1175 78 I 4.0753 7.7183 118.5730 63.4342 37.9012 177.7778 79 K 4.5425 8.0096 116.9425 57.4916 31.7014 177.8564 *81 K 4.2663 7.9255 120.3650 56.5639 34.1128 178.0222 82 T 3.9826 8.3904 115.3683 66.6263 68.2288 176.7023 83 A 4.0373 8.4641 123.2112 54.9385 18.3515 179.6195 84 K 3.9391 8.0386 117.7482 60.0059 32.3723 179.0580 85 T 3.9190 7.9862 115.9755 66.4031 68.2833 176.3339 86 F 4.1155 8.3771 122.5902 61.3370 39.4087 176.8642 87 L 3.9846 8.4169 120.0888 58.2674 41.6691 178.5973 88 N 4.3602 8.0649 115.2346 56.3123 38.5860 177.0027 89 K 4.0194 7.7590 119.5838 59.0344 32.4507 178.2051 90 L 4.0559 7.5310 117.3715 55.4140 42.1785 176.7960 91 Y 4.5968 7.0371 115.4545 57.2837 39.2456 175.8954 92 G 3.9236 9.3292 105.2170 46.3555 0.0000 174.8645 93 G 3.8602 8.4021 105.1486 45.8839 0.0000 173.7150 94 D 4.9250 8.1214 121.5984 51.9862 43.6473 176.6107 *96 K 4.1894 8.3451 116.6444 57.4921 34.6214 178.0407 97 S 4.0843 7.8993 113.8995 60.9858 62.2603 175.8960 98 L 2.6495 7.4190 122.5023 57.7754 41.8589 178.9074 99 V 3.4358 7.4702 117.6578 65.9281 31.4383 177.8371 100 L 4.0229 8.2345 119.0986 57.7428 41.3441 178.7435 101 N 4.3681 8.4427 117.1183 56.8033 38.7099 177.0061 102 F 3.8879 8.5311 118.8287 60.3981 39.0613 177.2560 103 A 4.0498 8.1926 120.3915 55.4150 17.9733 179.9389 104 K 3.8970 8.0646 115.1542 59.5410 32.2487 177.7690 105 N 4.6863 7.9387 114.3009 52.4951 38.1972 174.5931 106 E 3.8345 7.9734 116.1956 57.6070 27.5931 175.2434 107 E 4.3129 8.4007 116.2904 56.4684 29.9708 176.5764 108 L 4.8614 7.5662 118.8107 51.9954 44.2938 176.5148 109 N 4.6649 9.1402 122.9017 51.8909 39.5120 175.2443 110 N 4.2518 8.7073 118.0022 56.9664 38.8310 176.5462 111 K 3.9948 8.0540 119.4110 60.1154 32.6979 178.6485 112 E 4.0170 9.3990 120.3121 59.2238 29.2989 179.4260 113 I 3.7523 7.9250 119.8505 64.2766 37.1316 178.4455 114 E 3.9367 8.2374 119.5339 59.2998 29.3336 178.7231 115 E 3.9265 8.7045 119.7111 59.3668 29.6075 178.7542 116 L 3.9179 8.0633 120.2384 57.9090 42.0620 178.7642 117 R 3.8501 8.1549 118.8164 59.6110 29.9764 178.0229 118 D 4.3671 8.5163 118.9263 57.5901 40.9436 179.0024 119 I 3.6804 7.9078 120.0897 64.5066 36.9031 178.5702 120 L 4.0120 7.8626 118.5896 57.5552 41.8065 178.6467 121 N 4.4963 8.3683 118.7583 56.3336 38.6788 176.5631 122 D 4.4204 8.1595 119.2787 56.7206 41.0012 177.9033 123 I 4.2462 7.2778 109.9228 60.0759 38.7332 176.2220 124 S 4.3336 7.2612 117.5240 58.9487 63.2153 174.8623 125 K 4.5025 8.2498 120.3564 56.7201 32.7375 177.1566 126 K 4.0789 7.6561 123.3893 57.0234 32.9193 175.0516 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 Q 8.34 4.08 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 5.86 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 6 V 8.55 3.20 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 0.94 0.00 0.00 7 E 9.35 4.85 0.00 1.99 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 2.27 2.35 0.00 8 I 8.41 4.84 2.03 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.62 0.86 0.00 0.00 9 S 8.85 4.85 0.00 4.06 3.26 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 *11 A 8.82 4.34 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 12 E 8.42 4.07 0.00 2.29 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 2.29 2.25 0.00 13 W 8.22 3.86 0.00 3.64 3.16 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 14 D 8.10 4.60 0.00 2.96 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 0.00 15 V 7.53 3.59 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 0.72 0.00 0.00 0.82 0.00 0.00 *17 N 8.19 4.98 0.00 2.90 3.05 0.00 0.00 7.15 7.45 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 18 I 7.42 4.00 1.93 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 1.69 1.32 0.89 0.00 0.00 19 I 7.53 3.70 1.47 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 1.40 0.73 0.83 0.00 0.00 20 W 7.88 4.48 0.00 3.38 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 21 D 7.90 4.61 0.00 2.90 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 22 K 7.30 4.76 0.00 1.77 1.77 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.39 1.36 7.81 23 K 8.80 4.19 0.00 1.73 1.88 0.00 1.75 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.53 7.81 24 S 7.68 5.19 0.00 4.05 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 25 V 8.89 4.87 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 0.85 0.00 0.00 1.02 0.00 0.00 26 S 9.08 4.74 0.00 3.58 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 27 A 8.80 3.89 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 28 N 7.98 4.25 0.00 2.77 2.85 0.00 0.00 6.78 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 29 E 8.05 3.91 0.00 2.09 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 0.00 2.32 2.36 0.00 30 I 7.77 3.62 1.93 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 1.33 0.72 0.80 0.00 0.00 31 V 7.50 3.53 2.27 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 0.79 0.00 0.00 0.93 0.00 0.00 32 V 7.94 3.72 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 0.98 0.00 0.00 0.93 0.00 0.00 33 E 8.27 3.93 0.00 2.11 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 2.51 2.49 0.00 34 I 7.76 3.72 1.87 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 1.53 0.87 0.93 0.00 0.00 35 Q 7.70 4.56 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.96 0.00 0.00 0.00 0.00 0.00 2.63 2.32 0.00 36 K 7.95 4.38 0.00 1.78 2.03 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.55 7.81 37 Y 7.46 4.80 0.00 2.88 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 38 K 7.70 4.43 0.00 1.84 1.75 0.00 1.52 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.38 7.81 39 E 8.27 4.47 0.00 1.95 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 2.29 2.36 0.00 40 V 8.19 3.14 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 0.79 0.00 0.00 0.95 0.00 0.00 41 S 7.85 4.51 0.00 3.90 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 42 D 8.52 4.32 0.00 2.72 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 0.00 43 K 8.01 3.92 0.00 1.78 1.85 0.00 1.66 0.00 0.00 1.86 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.49 7.81 44 T 7.54 3.89 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 45 I 7.68 3.62 1.96 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 1.49 0.86 0.83 0.00 0.00 46 R 8.12 3.82 0.00 1.95 1.92 0.00 3.10 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.83 0.00 47 T 7.90 3.84 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 1.19 0.00 0.00 48 L 7.98 3.94 0.00 1.81 1.64 0.96 0.70 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 49 I 7.84 3.45 1.75 0.00 0.00 0.59 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 0.63 0.07 0.00 0.00 50 T 7.99 3.89 4.36 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 1.24 0.00 0.00 51 R 7.94 3.84 0.00 2.04 2.02 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 52 L 7.94 3.93 0.00 1.81 1.61 0.72 0.51 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 53 Y 8.38 4.32 0.00 3.12 3.15 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 54 K 8.37 3.72 0.00 1.91 1.80 0.00 1.65 0.00 0.00 2.01 0.00 0.00 3.17 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.48 7.81 55 K 7.97 4.16 0.00 1.76 1.81 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.53 7.81 56 E 7.76 3.85 0.00 2.06 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 2.06 2.11 0.00 57 I 7.88 4.15 1.87 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 1.24 0.91 0.81 0.00 0.00 58 I 7.76 5.25 2.09 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.95 0.75 0.00 0.00 59 K 9.23 5.20 0.00 1.89 2.01 0.00 1.39 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.57 1.47 7.81 60 R 8.51 5.09 0.00 1.01 0.97 0.00 2.21 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.31 0.00 61 Y 8.39 5.05 0.00 3.09 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 62 K 8.88 4.86 0.00 1.55 1.66 0.00 1.04 0.00 0.00 0.61 0.00 0.00 2.66 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.07 0.91 7.81 63 S 9.37 4.68 0.00 4.11 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 64 E 9.90 3.74 0.00 2.13 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 2.25 2.30 0.00 65 N 8.21 4.16 0.00 2.78 2.86 0.00 0.00 7.15 7.94 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 66 I 7.74 4.24 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.60 0.13 0.00 0.00 67 Y 7.88 4.64 0.00 2.65 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 68 F 8.50 4.70 0.00 1.63 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 69 Y 9.02 5.05 0.00 2.93 2.85 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 70 S 9.22 5.09 0.00 3.80 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 71 S 8.81 4.40 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 72 N 8.96 5.22 0.00 2.75 2.91 0.00 0.00 6.85 8.79 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 73 I 7.92 4.66 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.03 1.15 0.00 0.00 74 K 8.64 4.16 0.00 1.93 1.70 0.00 1.89 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.51 7.81 75 E 8.48 2.93 0.00 1.16 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 1.66 1.47 0.00 76 D 7.72 4.24 0.00 2.58 2.62 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 77 D 7.82 4.48 0.00 2.85 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 0.00 78 I 7.72 4.08 1.99 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.77 1.17 0.00 0.00 79 K 8.01 4.54 0.00 2.16 1.96 0.00 1.71 0.00 0.00 1.57 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.50 7.81 *81 K 7.93 4.27 0.00 2.01 2.09 0.00 1.84 0.00 0.00 1.90 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.48 1.53 7.81 82 T 8.39 3.98 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 1.13 0.00 0.00 83 A 8.46 4.04 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 84 K 8.04 3.94 0.00 1.87 1.99 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.56 7.81 85 T 7.99 3.92 4.50 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 0.00 0.00 0.00 1.27 0.00 0.00 86 F 8.38 4.12 0.00 3.22 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 87 L 8.42 3.98 0.00 2.03 1.72 0.99 1.05 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 88 N 8.06 4.36 0.00 2.89 2.87 0.00 0.00 7.05 7.20 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 89 K 7.76 4.02 0.00 1.89 1.70 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.43 7.81 90 L 7.53 4.06 0.00 0.89 0.56 0.68 0.34 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 91 Y 7.04 4.60 0.00 3.01 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 92 G 9.33 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 93 G 8.40 3.86 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 0.00 0.00 0.00 94 D 8.12 4.92 0.00 2.84 2.62 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 *96 K 8.35 4.19 0.00 1.95 2.09 0.00 1.51 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.44 7.81 97 S 7.90 4.08 0.00 3.93 4.18 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 98 L 7.42 2.65 0.00 0.71 1.22 0.47 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.47 3.44 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 0.97 0.00 0.00 0.79 0.00 0.00 100 L 8.23 4.02 0.00 1.83 1.73 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 101 N 8.44 4.37 0.00 3.24 3.21 0.00 0.00 7.24 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 0.00 102 F 8.53 3.89 0.00 3.27 3.14 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 0.00 103 A 8.19 4.05 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 0.00 104 K 8.06 3.90 0.00 1.85 1.91 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.61 7.81 105 N 7.94 4.69 0.00 2.73 2.70 0.00 0.00 7.14 8.50 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 0.00 106 E 7.97 3.83 0.00 2.06 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 2.25 2.24 0.00 107 E 8.40 4.31 0.00 1.91 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 0.00 2.15 1.85 0.00 108 L 7.57 4.86 0.00 1.63 1.60 0.96 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 109 N 9.14 4.66 0.00 2.99 2.99 0.00 0.00 6.21 7.08 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 0.00 110 N 8.71 4.25 0.00 2.81 2.87 0.00 0.00 6.63 6.17 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 0.00 111 K 8.05 3.99 0.00 2.02 2.06 0.00 1.57 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.61 1.57 7.81 112 E 9.40 4.02 0.00 2.15 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 2.34 2.60 0.00 113 I 7.93 3.75 2.04 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 1.54 0.72 0.91 0.00 0.00 114 E 8.24 3.94 0.00 2.16 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 2.33 2.52 0.00 115 E 8.70 3.93 0.00 1.98 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 0.00 2.30 2.32 0.00 116 L 8.06 3.92 0.00 1.88 1.76 0.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.15 3.85 0.00 2.02 2.09 0.00 3.16 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 118 D 8.52 4.37 0.00 2.85 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 0.00 119 I 7.91 3.68 2.00 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 1.77 1.20 0.89 0.00 0.00 120 L 7.86 4.01 0.00 1.74 1.71 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 121 N 8.37 4.50 0.00 2.91 2.94 0.00 0.00 6.87 8.78 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 0.00 122 D 8.16 4.42 0.00 2.85 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 0.00 123 I 7.28 4.25 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 1.72 0.57 0.90 0.00 0.00 124 S 7.26 4.33 0.00 4.06 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 0.00 125 K 8.25 4.50 0.00 1.73 1.84 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.38 7.81 126 K 7.66 4.08 0.00 1.69 1.63 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 1.39 7.81 * Residues marked with a * may have inaccurate shift predictions.