NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.7976 8.3033 120.3482 55.6581 31.1822 174.1523 2 L 4.1054 7.9352 124.0537 57.1822 41.4000 178.3023 3 L 4.1834 9.1727 119.5928 57.0957 42.0619 178.6483 4 Q 4.2529 8.0068 117.9696 58.3265 28.9768 177.6209 5 F 4.4907 8.1788 121.3230 61.5101 39.4385 177.0286 6 R 3.7656 8.3181 118.3483 59.4880 29.7794 178.6844 7 K 4.1469 7.8258 116.8411 59.6679 32.0935 179.2402 8 M 4.5982 8.3263 119.1141 58.5923 31.7858 178.9897 9 I 3.7496 7.8484 119.9711 64.2354 37.2271 178.3064 10 K 4.4051 8.0587 121.8519 58.8004 31.7508 178.7752 11 K 3.7775 8.0846 118.9000 59.9067 32.2569 178.5192 12 M 4.3294 8.1485 117.5660 57.9410 32.0303 177.8268 13 T 4.3110 8.3856 112.4134 61.9691 68.3492 175.7807 14 G 3.8407 8.2902 109.4038 45.2769 0.0000 173.0565 *16 K 4.2412 7.5424 117.4708 55.9635 33.3293 174.7618 17 E 4.3047 8.4052 122.3424 55.2172 29.5753 175.3526 18 P 4.3751 0.0000 0.0000 65.8048 31.5677 179.0602 19 V 3.5617 7.9768 116.3857 65.4239 31.6568 176.9326 20 V 4.2000 7.8136 117.7223 65.0246 32.0428 177.0817 21 S 4.5381 7.9918 113.2765 59.6326 63.1588 174.8181 22 Y 4.6060 8.2351 116.0284 58.0775 40.3085 177.5001 23 A 3.8981 8.1211 122.1002 54.4861 18.5805 178.2488 24 F 4.8729 7.9530 113.1237 57.3227 40.4278 173.4766 25 Y 4.5315 8.2863 122.4600 58.0895 39.7699 176.4296 26 G 3.7723 7.6654 115.6591 46.6362 0.0000 172.6060 27 C 4.5639 10.8224 114.4418 57.5101 41.1706 174.8228 28 Y 4.4686 8.9838 116.2537 58.9654 39.8835 176.5589 29 C 4.5990 8.4902 116.2630 59.8806 40.4678 174.9865 30 G 4.2188 8.5053 107.2040 46.1607 0.0000 173.1314 31 S 3.7587 8.0182 115.8441 57.5426 63.3794 174.9732 32 G 3.7896 8.6691 116.3692 46.4303 0.0000 171.8615 33 G 4.2030 7.6015 119.6765 45.3161 0.0000 171.1959 34 R 4.4401 7.3552 124.2068 54.6257 33.6830 175.0072 35 G 3.9223 8.1618 107.2614 44.7883 0.0000 172.3859 36 K 4.4963 8.2443 117.4860 53.8251 33.7072 174.8305 37 P 4.3678 0.0000 0.0000 62.9039 31.8555 176.3101 38 K 3.7131 8.9524 124.7300 58.8702 32.4747 175.5778 39 N 4.7684 7.3773 113.0072 50.8032 39.5589 173.7754 40 A 4.0423 8.8399 118.8107 56.3699 18.0103 179.7433 41 T 4.2196 8.0720 113.5887 66.6748 68.6748 176.4854 42 D 4.6748 8.6206 120.0582 57.0617 41.1320 178.2192 43 R 4.0219 8.1999 119.6202 59.3328 30.0070 177.7124 44 C 4.2428 7.9593 115.7722 60.1936 38.1894 175.4444 45 C 4.3354 8.3649 117.7344 59.6772 38.5704 175.6889 46 F 3.6925 8.0783 122.3881 61.1109 38.8548 177.3947 47 V 3.0807 7.8780 118.0112 66.1722 31.4810 177.3597 48 H 3.7109 8.1459 117.9096 59.2749 29.2730 176.9316 49 D 4.2074 7.7670 120.7771 57.3481 40.4644 178.0583 50 C 4.1183 7.4210 116.1755 59.6574 41.4205 175.1570 51 C 4.2723 8.1182 120.4357 60.0074 41.5937 175.3195 52 Y 3.9260 7.7365 117.6104 60.7842 37.1019 178.2923 53 E 3.9811 7.6081 119.5859 58.7642 29.7460 178.4292 54 K 4.2226 7.8276 118.1300 57.5747 32.3156 177.7124 55 V 3.5292 6.7599 119.1907 63.7933 31.7328 174.6342 56 T 4.1962 8.5614 122.7779 65.1805 69.9825 176.2145 *59 G 3.6839 7.8083 108.0616 45.2877 0.0000 170.8129 *61 C 4.9257 7.5658 113.2458 55.2565 43.8672 171.9860 *67 D 4.7270 8.4215 116.8852 53.4076 40.3825 173.9054 68 P 3.8805 0.0000 0.0000 64.7625 31.8397 177.9597 69 K 3.5818 7.7346 120.8025 58.1157 32.0826 177.8847 70 W 4.8049 7.6049 113.9477 56.3071 30.0510 175.1716 71 D 4.7504 8.0658 120.0767 53.1683 41.1178 176.0107 72 D 4.5698 8.6879 124.7458 54.0701 41.5386 175.1714 73 Y 4.8670 8.1263 121.5867 55.2693 40.9132 174.2523 74 T 5.0117 8.4883 113.6912 60.6071 70.0611 172.2070 75 Y 5.4875 8.5299 125.3186 56.1520 41.6137 173.7710 76 S 4.3989 9.0055 113.5562 56.0607 66.8309 174.1979 77 W 4.7137 8.5724 120.7001 56.0679 29.2467 176.3332 78 K 3.8163 8.0440 120.4001 57.9801 31.7574 175.5502 79 N 4.1243 9.1220 126.8196 55.0450 36.2102 174.9178 80 G 4.3242 8.5863 102.0005 46.4379 0.0000 173.2649 81 T 4.8416 7.7124 115.5439 61.2629 72.6107 173.4390 82 I 3.5499 7.8714 125.8807 61.1092 38.0794 175.7815 83 V 4.1934 9.1725 128.0015 61.0405 33.3777 173.5649 84 C 4.7148 8.6893 125.8972 56.9276 40.6499 173.6872 85 G 3.8475 9.0165 112.4814 46.4572 0.0000 172.6614 86 G 4.0215 8.8095 106.2294 45.7225 0.0000 173.7296 *88 D 4.8542 8.0868 116.4809 53.6119 42.8933 175.9377 89 D 4.6393 7.7252 119.5177 52.8820 42.3545 174.8737 90 P 4.3123 0.0000 0.0000 65.2151 31.5208 179.2505 91 C 4.1951 8.3246 117.7277 59.6552 44.4307 175.8226 92 K 3.9143 8.0936 119.6351 59.3011 31.7432 179.1233 93 K 3.7876 8.0388 119.9948 59.1631 31.9163 178.4340 94 E 3.7963 8.2048 119.8701 59.5158 29.6456 179.3986 95 V 3.5290 7.6017 112.2698 64.2931 31.3919 177.8224 96 C 3.0968 7.9024 118.6023 59.2042 38.2351 175.4908 97 E 3.5658 7.9579 120.0714 59.0013 29.0148 178.8016 98 C 4.0861 7.6180 116.6537 60.0256 40.0633 175.6352 99 D 3.5435 7.7055 120.3416 57.0985 40.3555 178.8635 100 K 3.7839 8.0563 120.0849 59.4140 32.0333 178.7163 101 A 3.8877 7.8137 120.6560 54.7554 18.2576 179.5554 102 A 3.4415 7.7183 118.8307 55.1081 18.5174 179.5327 103 A 3.9787 7.9575 119.2788 55.5245 18.4265 179.9708 104 I 3.6469 7.4834 117.7088 64.5420 37.0397 177.6987 105 C 4.1537 8.1099 119.5452 59.8413 42.4885 175.6373 106 F 4.4635 8.1884 119.5375 60.6601 38.2065 177.6490 107 R 4.0021 7.7570 117.2265 59.6911 30.0511 178.1827 108 D 4.5776 8.2429 116.9736 56.2118 40.9992 177.3436 109 N 4.9405 7.8469 115.4108 52.7233 39.0641 175.8530 110 L 4.0321 7.7306 123.7171 58.2221 41.7559 179.1414 111 K 4.0881 8.2030 116.8221 59.0833 32.8924 177.5211 112 T 4.5300 7.9476 108.7057 61.2472 68.8844 173.5185 113 Y 4.2257 7.9808 125.0323 57.8000 39.3973 174.3986 114 K 4.6538 8.4979 126.7351 54.3218 34.1731 177.4972 115 K 4.2540 8.6634 124.8747 58.6593 32.4294 178.4161 116 R 4.0260 7.5961 113.6954 58.2672 29.9256 176.7822 117 Y 4.5278 7.2896 116.1153 59.1570 38.4737 175.7566 118 M 4.4349 7.2821 115.8941 55.8306 31.8689 175.3429 119 A 3.7626 8.1973 120.5113 53.2680 16.9314 176.9017 120 Y 4.2008 8.1196 120.1631 57.6903 39.6903 173.2670 121 P 4.3532 0.0000 0.0000 62.5028 32.2888 177.2947 122 D 4.3242 8.7132 123.0427 57.0970 41.0897 178.2921 *124 I 4.3650 7.5572 110.5561 60.5764 39.2341 176.2077 125 L 4.2886 7.4373 119.1944 55.5877 41.8540 176.3613 126 C 4.6484 8.3549 117.1607 55.7437 39.5289 173.4664 127 S 4.3108 8.5315 116.9140 59.0118 62.3548 175.3161 128 S 4.3185 8.5313 118.8009 59.1537 63.5727 173.9573 129 K 4.3224 7.6944 121.7904 54.5031 31.3907 175.5746 130 S 4.7103 8.2027 121.5833 57.4195 63.6304 174.3593 131 E 4.1738 7.8795 124.3071 55.7649 30.0729 176.2262 132 K 4.4984 8.2940 123.0557 55.2254 33.3659 177.8046 133 C 4.4466 9.0122 119.7359 57.5531 41.0786 173.6595 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 H 8.30 4.80 0.00 3.21 3.17 0.00 5.64 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 2 L 7.94 4.11 0.00 1.74 1.77 0.73 0.55 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 3 L 9.17 4.18 0.00 1.67 1.75 0.96 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 8.01 4.25 0.00 1.89 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.89 0.00 0.00 0.00 0.00 0.00 2.38 2.25 0.00 5 F 8.18 4.49 0.00 3.30 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 6 R 8.32 3.77 0.00 2.05 2.16 0.00 3.19 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 7 K 7.83 4.15 0.00 2.27 2.12 0.00 1.95 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.57 1.58 7.81 8 M 8.33 4.60 0.00 2.19 2.46 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.46 0.00 9 I 7.85 3.75 1.83 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.49 0.66 0.00 0.00 10 K 8.06 4.41 0.00 1.97 1.97 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.32 7.81 11 K 8.08 3.78 0.00 2.00 1.87 0.00 1.41 0.00 0.00 0.61 0.00 0.00 2.60 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.30 0.94 7.81 12 M 8.15 4.33 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.00 3.35 0.00 13 T 8.39 4.31 4.47 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 0.00 0.00 0.00 1.37 0.00 0.00 14 G 8.29 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 *16 K 7.54 4.24 0.00 1.91 1.66 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.32 7.81 17 E 8.41 4.30 0.00 2.05 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 2.40 2.43 0.00 18 P 0.00 4.38 0.00 2.18 2.00 0.00 3.68 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.07 0.00 19 V 7.98 3.56 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 0.85 0.00 0.00 0.99 0.00 0.00 20 V 7.81 4.20 2.22 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 0.92 0.00 0.00 0.99 0.00 0.00 21 S 7.99 4.54 0.00 3.41 3.50 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 0.00 22 Y 8.24 4.61 0.00 2.94 2.57 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 0.00 0.00 0.00 0.00 23 A 8.12 3.90 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 24 F 7.95 4.87 0.00 3.23 3.04 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 25 Y 8.29 4.53 0.00 3.19 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 26 G 7.67 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 0.00 0.00 0.00 27 C 10.82 4.56 0.00 2.98 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 28 Y 8.98 4.47 0.00 3.34 3.12 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 29 C 8.49 4.60 0.00 3.39 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 30 G 8.51 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 0.00 0.00 0.00 0.00 31 S 8.02 3.76 0.00 4.08 3.93 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 32 G 8.67 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 33 G 7.60 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 0.00 0.00 0.00 0.00 34 R 7.36 4.44 0.00 1.68 1.74 0.00 3.36 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 35 G 8.16 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 36 K 8.24 4.50 0.00 1.71 1.67 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.34 7.81 37 P 0.00 4.37 0.00 1.90 2.03 0.00 3.50 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.45 0.00 38 K 8.95 3.71 0.00 1.46 0.83 0.00 1.24 0.00 0.00 0.94 0.00 0.00 2.93 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.30 0.21 7.81 39 N 7.38 4.77 0.00 2.91 2.81 0.00 0.00 6.04 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 40 A 8.84 4.04 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 41 T 8.07 4.22 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 1.02 0.00 0.00 42 D 8.62 4.67 0.00 2.98 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 43 R 8.20 4.02 0.00 2.04 2.14 0.00 3.13 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 44 C 7.96 4.24 0.00 3.39 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 45 C 8.36 4.34 0.00 3.44 3.33 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 46 F 8.08 3.69 0.00 2.31 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 47 V 7.88 3.08 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 0.86 0.00 0.00 0.94 0.00 0.00 48 H 8.15 3.71 0.00 3.11 3.27 0.00 5.64 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.77 4.21 0.00 2.92 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 50 C 7.42 4.12 0.00 2.73 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 51 C 8.12 4.27 0.00 2.93 3.03 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 0.00 0.00 0.00 0.00 52 Y 7.74 3.93 0.00 3.04 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 53 E 7.61 3.98 0.00 2.12 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 2.30 2.38 0.00 54 K 7.83 4.22 0.00 1.88 1.79 0.00 1.73 0.00 0.00 1.56 0.00 0.00 3.01 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.42 1.44 7.81 55 V 6.76 3.53 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 0.67 0.00 0.00 0.85 0.00 0.00 56 T 8.56 4.20 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 1.21 0.00 0.00 *59 G 7.81 3.68 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 0.00 0.00 0.00 *61 C 7.57 4.93 0.00 3.44 3.35 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 *67 D 8.42 4.73 0.00 2.79 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 68 P 0.00 3.88 0.00 0.49 1.42 0.00 3.61 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 69 K 7.73 3.58 0.00 1.21 0.74 0.00 1.48 0.00 0.00 1.46 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.30 0.93 7.81 70 W 7.60 4.80 0.00 3.38 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 71 D 8.07 4.75 0.00 2.89 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 72 D 8.69 4.57 0.00 2.68 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Y 8.13 4.87 0.00 2.96 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 74 T 8.49 5.01 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 1.35 0.00 0.00 75 Y 8.53 5.49 0.00 3.01 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 76 S 9.01 4.40 0.00 3.80 3.87 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 77 W 8.57 4.71 0.00 3.35 3.29 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 78 K 8.04 3.82 0.00 1.74 1.78 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.46 7.81 79 N 9.12 4.12 0.00 2.99 2.94 0.00 0.00 7.02 8.08 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 80 G 8.59 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 0.00 0.00 0.00 0.00 81 T 7.71 4.84 4.24 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 1.20 0.00 0.00 82 I 7.87 3.55 1.50 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 -0.36 0.70 0.00 0.00 83 V 9.17 4.19 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 1.03 0.00 0.00 0.98 0.00 0.00 84 C 8.69 4.71 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 85 G 9.02 3.85 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 0.00 0.00 0.00 86 G 8.81 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 *88 D 8.09 4.85 0.00 2.71 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 89 D 7.73 4.64 0.00 2.71 2.55 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 90 P 0.00 4.31 0.00 2.17 2.04 0.00 3.63 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 2.09 2.11 0.00 91 C 8.32 4.20 0.00 2.98 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 92 K 8.09 3.91 0.00 1.86 1.91 0.00 1.89 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.75 1.52 7.81 93 K 8.04 3.79 0.00 1.92 1.90 0.00 1.77 0.00 0.00 1.53 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.35 7.81 94 E 8.20 3.80 0.00 2.22 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 2.22 2.28 0.00 95 V 7.60 3.53 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 0.66 0.00 0.00 0.98 0.00 0.00 96 C 7.90 3.10 0.00 1.99 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 97 E 7.96 3.57 0.00 2.05 1.84 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 2.38 2.38 0.00 98 C 7.62 4.09 0.00 3.13 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 99 D 7.71 3.54 0.00 2.63 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 0.00 100 K 8.06 3.78 0.00 1.62 1.65 0.00 1.59 0.00 0.00 1.52 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.25 7.81 101 A 7.81 3.89 1.25 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 0.00 0.00 102 A 7.72 3.44 1.15 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 0.00 103 A 7.96 3.98 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.48 3.65 2.02 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 1.41 0.75 0.88 0.00 0.00 105 C 8.11 4.15 0.00 2.97 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 0.00 106 F 8.19 4.46 0.00 3.03 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 0.00 107 R 7.76 4.00 0.00 2.03 2.17 0.00 3.32 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.95 0.00 108 D 8.24 4.58 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 0.00 109 N 7.85 4.94 0.00 2.80 2.91 0.00 0.00 6.43 7.56 0.00 0.00 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 L 7.73 4.03 0.00 2.07 1.75 0.89 0.45 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 0.00 111 K 8.20 4.09 0.00 1.95 1.98 0.00 1.64 0.00 0.00 1.80 0.00 0.00 3.11 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.49 7.81 112 T 7.95 4.53 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 1.28 0.00 0.00 113 Y 7.98 4.23 0.00 3.00 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 0.00 114 K 8.50 4.65 0.00 1.78 1.43 0.00 2.04 0.00 0.00 1.98 0.00 0.00 3.06 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.35 1.44 7.81 115 K 8.66 4.25 0.00 1.91 1.83 0.00 1.74 0.00 0.00 1.90 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.54 7.81 116 R 7.60 4.03 0.00 1.73 1.84 0.00 2.46 0.00 0.00 2.94 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 0.00 117 Y 7.29 4.53 0.00 2.07 1.84 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 0.00 118 M 7.28 4.43 0.00 2.47 2.23 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.70 0.00 119 A 8.20 3.76 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 0.00 120 Y 8.12 4.20 0.00 3.06 3.01 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 0.00 0.00 0.00 121 P 0.00 4.35 0.00 1.96 1.82 0.00 2.48 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 1.78 1.90 0.00 122 D 8.71 4.32 0.00 2.72 2.73 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 *124 I 7.56 4.37 1.85 0.00 0.00 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 1.38 0.38 0.90 0.00 0.00 125 L 7.44 4.29 0.00 1.64 1.78 0.53 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.35 4.65 0.00 3.04 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 0.00 127 S 8.53 4.31 0.00 3.84 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 S 8.53 4.32 0.00 4.02 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 0.00 129 K 7.69 4.32 0.00 1.71 1.79 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.50 7.81 130 S 8.20 4.71 0.00 3.98 3.93 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 0.00 131 E 7.88 4.17 0.00 1.80 1.31 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 2.14 2.16 0.00 132 K 8.29 4.50 0.00 1.80 1.78 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.56 7.81 133 C 9.01 4.45 0.00 2.94 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 * Residues marked with a * may have inaccurate shift predictions.