NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4088 8.2893 120.3143 55.4954 33.2847 174.7697 2 D 4.5831 8.3646 118.7043 51.9639 41.1845 174.1062 3 S 4.3633 8.1977 113.1218 58.0137 66.1459 174.8117 4 Y 4.5164 8.4728 119.3752 58.1842 38.2704 175.8501 5 S 4.4498 7.5788 114.5500 57.4938 63.3385 175.0764 6 I 3.7716 8.3655 125.5120 63.9920 37.8641 177.7966 7 T 4.1086 7.4682 109.4565 63.6826 68.6284 175.0936 8 N 4.3504 8.0232 119.2483 55.0748 38.8609 175.0787 9 V 3.9538 7.5616 119.3398 62.2301 32.0762 175.8432 10 K 4.6147 8.4862 127.5958 55.2583 34.6693 174.8946 11 Y 5.2546 8.7023 118.4818 56.2688 40.9497 175.0493 12 L 4.8590 9.1425 124.9058 53.3996 45.7640 175.1396 13 D 4.9930 8.3753 124.1360 52.8193 42.6286 175.6390 14 P 4.5221 0.0000 0.0000 66.3093 31.3107 179.1274 15 T 4.0882 7.8247 109.2915 64.2705 68.6244 175.9946 16 E 3.7345 7.9423 121.7231 58.6103 29.5338 178.4538 17 L 3.0190 7.3180 119.9708 58.0077 42.2113 178.1571 18 H 3.9858 8.3649 118.3814 59.1620 29.6479 177.2260 19 R 3.8472 7.6097 120.0870 59.2439 29.8724 178.4859 20 W 4.5107 7.9414 120.0726 59.5523 28.6964 178.4622 21 M 4.3563 7.9826 117.9183 58.4743 31.4555 178.5002 22 Q 4.0881 7.8553 117.3836 58.9555 28.9759 178.2480 23 E 4.1734 8.1546 118.2448 56.9347 29.7513 177.9945 24 G 3.9618 9.9314 106.6518 45.0856 0.0000 172.0008 25 H 4.7412 7.2211 113.7080 54.6244 31.0939 173.2146 26 T 2.4800 8.2247 110.7868 60.9684 69.0780 175.8894 27 T 3.8469 8.0170 113.7240 65.4021 68.9669 176.0356 28 T 3.9569 7.7334 117.8249 65.5155 68.6934 175.1157 29 L 4.3993 7.6268 118.5107 53.8172 42.3271 176.6740 30 R 4.2002 7.4792 115.5377 56.2828 27.7497 175.9110 31 E 4.5652 7.8153 116.1902 54.5595 31.9137 174.6356 32 P 4.8318 0.0000 0.0000 62.6898 33.1972 174.6852 33 F 5.4098 7.5587 114.0684 55.6486 41.5676 173.7059 34 Q 4.1050 8.9841 120.4790 54.7067 32.5547 173.4648 35 V 4.2075 8.2317 126.7766 62.1787 33.4857 174.5504 36 V 4.7532 8.9780 128.2281 61.1332 34.1387 173.9031 37 D 4.5840 9.6328 130.0171 53.3713 42.0706 176.3811 38 V 5.3325 8.1890 119.0571 60.7842 32.5634 176.8560 39 R 4.7030 8.5882 120.6744 56.3165 32.2093 179.3201 40 G 4.3508 8.8310 108.9883 45.5035 0.0000 178.4735 41 S 4.3532 8.9866 123.8370 60.1898 63.0204 174.9233 42 D 4.7388 8.0977 118.7735 54.1270 37.6282 176.5188 43 Y 4.1905 8.0930 122.6272 60.2382 39.0821 175.4529 44 M 4.1303 7.5941 119.1501 57.2484 32.9140 176.1530 45 G 4.1630 8.6152 112.8485 44.8818 0.0000 171.9045 46 G 4.5337 5.7703 103.5750 41.6754 0.0000 172.7639 47 H 3.9213 8.3223 116.4594 53.5468 31.9031 172.9911 48 I 4.2244 8.0746 121.2653 60.5534 37.4889 175.9201 49 K 4.0887 8.5314 126.8064 58.1515 32.3750 176.3821 50 D 4.5664 9.0344 123.5716 54.8040 38.4651 174.0177 51 G 3.9629 7.8040 106.3227 45.6991 0.0000 173.3254 52 W 5.2931 9.1830 120.1375 55.1816 32.0843 175.1838 53 H 5.2980 8.9767 123.5816 55.1623 30.4282 173.8937 54 Y 4.6716 9.3428 124.2032 54.2960 40.7492 174.7140 55 A 4.6961 8.6023 126.1687 51.8714 19.1917 177.2231 56 Y 4.1473 9.4091 124.1519 61.1284 38.9525 178.8175 57 S 4.0321 8.3400 115.3630 61.8827 62.9641 176.7091 58 R 3.8822 7.9269 120.5949 59.1233 29.6625 178.2371 59 L 4.2590 7.9431 118.2648 57.7988 41.7031 179.1190 60 K 3.9417 7.7885 118.6664 59.0973 32.1470 178.3190 61 Q 4.4832 7.8380 116.9532 55.8449 29.5738 174.9257 62 D 4.7851 8.3524 120.0195 51.3765 41.7187 174.2133 63 P 4.3346 0.0000 0.0000 65.7132 31.2290 178.3309 64 E 4.0322 8.5594 117.4744 59.2795 29.0886 178.7142 65 Y 4.2793 8.2682 119.8766 60.6516 38.8411 177.6354 66 L 3.9929 7.9972 120.9032 58.0724 42.1889 178.6705 67 R 3.8666 8.2419 118.8433 59.3122 29.9946 178.0723 68 E 3.9021 8.3269 119.2587 59.1094 29.5627 178.5686 69 L 3.4816 7.6284 120.2263 57.8025 42.0337 178.6083 70 K 3.8420 8.0946 119.7072 59.8920 32.1093 177.9485 71 H 4.0871 8.4413 118.4719 59.4419 29.7973 177.3134 72 R 3.8679 8.0695 119.6803 59.1662 29.8473 179.0290 73 L 4.1256 8.2700 118.8519 58.0880 41.7068 179.7436 74 L 4.0234 8.1818 118.9062 57.5987 41.2360 179.2650 75 E 3.8917 8.0540 118.9046 59.0395 29.9799 178.4699 76 K 4.1244 8.1460 119.8236 59.3724 32.2273 178.6719 77 Q 3.9718 8.2625 119.8360 59.0625 28.7674 177.7946 78 A 4.0011 7.9154 120.8318 55.0973 18.4374 178.3950 79 D 4.7753 7.5306 113.2317 54.3156 41.4360 176.2326 80 G 4.0618 7.8242 109.5770 43.5138 0.0000 172.4871 81 R 4.2193 8.3826 119.4990 55.7236 31.3400 177.2499 82 G 3.6268 8.4942 114.3293 46.4499 0.0000 172.4064 83 A 4.5655 8.6904 124.9195 51.1860 20.3002 177.1297 84 L 4.4411 8.6071 122.8352 54.2476 44.0060 175.4044 85 N 5.4152 9.0145 124.3995 52.3263 39.9333 174.1162 86 V 4.4024 8.8688 125.6158 61.6615 33.3848 174.6037 87 I 5.0217 8.5105 129.1248 59.7511 39.5412 174.5848 88 F 5.5515 9.5614 126.7946 55.8525 41.6338 174.8650 89 H 4.9767 8.3844 116.1946 55.4706 31.7672 173.3666 *91 M 4.6424 8.6724 116.4930 55.5180 34.2184 174.1706 92 L 5.3115 7.6474 115.5931 53.2693 45.3548 177.0737 93 S 4.6214 8.6888 112.4233 58.3647 61.5687 173.5760 94 Q 4.6340 7.9795 121.9719 53.5574 31.9330 176.8397 95 Q 4.0838 8.4659 120.1147 59.0837 29.0007 178.7206 96 R 3.6184 7.9252 118.7356 58.6230 30.0272 178.5322 97 G 3.6516 7.9217 105.9886 47.3581 0.0000 174.0653 98 P 4.2787 0.0000 0.0000 65.0855 31.4871 178.6438 99 S 4.1155 7.9457 114.5570 61.3150 62.7394 176.4180 100 A 4.0925 8.1287 123.4319 55.0590 18.0867 179.5190 101 A 2.9758 7.2305 118.7359 55.2706 18.2919 179.8342 102 M 4.0302 8.1200 117.2258 58.2538 31.7297 178.9886 103 L 3.9687 7.4668 118.5383 57.6480 42.0985 179.0240 104 L 4.1213 7.6725 119.7469 57.9699 42.2036 178.4971 105 L 3.9837 8.0452 120.3898 58.5273 41.8465 179.2151 106 R 4.2677 8.2560 116.1670 58.1714 30.0792 178.0418 107 S 4.5086 7.7872 112.5040 57.7699 64.0076 174.0464 108 L 4.6131 7.3390 123.0036 54.0998 42.7388 176.4386 109 D 4.8329 9.4421 123.0180 53.6675 41.9257 177.7676 110 T 3.9653 8.5928 110.9482 65.0659 68.2303 176.1844 111 A 4.0675 7.9770 122.1480 54.2228 18.9499 178.3273 112 E 4.2929 8.1235 115.8505 57.4371 29.6991 178.3978 113 L 3.9671 7.2862 118.9173 57.4569 41.7430 178.1785 114 S 4.3672 7.8592 110.7506 59.4508 63.8119 174.9468 115 R 4.2262 7.8813 120.2848 57.6948 30.3349 175.4534 116 C 5.4851 7.6835 113.7939 57.9449 32.6597 173.4872 117 R 4.6405 8.8827 118.9659 54.4968 33.6222 174.3491 118 L 5.2417 8.3460 123.0671 52.9953 44.2212 175.5225 119 W 5.5022 9.6670 122.7953 54.8740 33.8658 174.3019 120 V 4.8810 8.3960 121.1270 60.9986 34.4292 174.2779 121 L 4.7012 8.8341 130.3536 54.1128 42.8519 176.3375 122 R 4.2681 8.9082 127.5148 57.9276 30.4857 177.4338 123 G 3.9241 9.0144 111.6250 43.7739 0.0000 174.6426 124 G 4.3237 7.9041 108.5201 45.0443 0.0000 173.7685 125 F 4.1650 8.8296 118.6578 61.0711 39.0223 177.6844 126 S 4.1622 8.4004 112.7768 61.5269 62.3320 175.9229 127 R 3.9517 7.8778 121.0776 58.7830 29.8221 177.9311 128 W 4.0795 7.9185 128.2280 60.6580 30.6924 178.0503 129 Q 3.5904 7.6076 117.7665 58.7158 27.5412 178.3543 130 S 3.9927 7.2053 115.0697 60.0385 62.9571 175.3903 131 V 3.6835 6.7911 119.7268 63.5357 32.9352 175.3712 132 Y 4.3777 6.9882 113.5176 57.1574 38.7232 177.3439 133 G 2.7791 7.3546 111.2034 48.3307 0.0000 174.5772 134 D 4.5109 7.5134 116.0714 52.7980 39.9162 175.9355 135 D 4.5875 7.8588 121.6106 52.9936 40.0919 176.4631 136 E 4.0848 8.7359 127.3501 59.0948 29.6647 179.0662 137 S 4.3905 8.1453 112.2046 60.0994 63.5753 174.9983 138 V 4.6042 7.8121 111.7141 60.7665 34.3078 175.0960 139 T 5.2726 8.3769 116.8786 61.5611 71.2104 173.3640 140 A 4.6438 9.1645 127.7036 50.4095 22.3229 176.3421 141 G 4.1264 8.7607 106.8583 46.5084 0.0000 172.8227 142 Y 4.7625 8.2358 120.1383 57.2169 39.4126 175.4348 143 L 4.5119 8.0619 127.1002 51.6870 42.4362 174.9124 144 P 3.9658 0.0000 0.0000 65.5774 31.8987 178.5540 145 D 4.4134 8.2989 117.2621 57.4979 40.8138 178.9239 146 L 3.9040 7.5685 117.0629 56.9392 41.5733 177.9992 147 W 4.4913 7.9193 118.1800 56.9364 29.5234 177.3595 148 R 4.0455 7.6814 118.3152 56.2652 29.2349 181.7229 149 A 4.0937 8.9279 126.7574 54.1119 19.1768 178.2101 150 A 4.6414 7.6154 117.5769 50.8996 18.8599 176.2873 151 A 4.5601 7.3039 135.0000 51.1312 18.3411 177.9835 152 A 4.1662 8.6203 119.7311 53.9933 18.4234 177.3763 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 M 8.29 4.41 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.44 0.00 2 D 8.36 4.58 0.00 2.78 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 3 S 8.20 4.36 0.00 3.97 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 4 Y 8.47 4.52 0.00 2.96 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.58 4.45 0.00 3.92 3.72 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 6 I 8.37 3.77 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.11 0.93 0.00 0.00 7 T 7.47 4.11 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 1.22 0.00 0.00 8 N 8.02 4.35 0.00 2.82 2.82 0.00 0.00 6.90 7.09 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 9 V 7.56 3.95 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 0.54 0.00 0.00 0.89 0.00 0.00 10 K 8.49 4.61 0.00 0.79 1.05 0.00 1.53 0.00 0.00 1.50 0.00 0.00 2.74 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.90 0.72 7.81 11 Y 8.70 5.25 0.00 2.89 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 12 L 9.14 4.86 0.00 1.63 1.32 -0.09 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.38 4.99 0.00 2.62 2.53 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 14 P 0.00 4.52 0.00 2.17 2.34 0.00 3.60 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 15 T 7.82 4.09 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 1.17 0.00 0.00 16 E 7.94 3.73 0.00 1.88 1.62 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 1.47 2.02 0.00 17 L 7.32 3.02 0.00 1.33 1.74 0.39 0.42 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 18 H 8.36 3.99 0.00 2.43 3.16 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 7.61 3.85 0.00 2.00 2.07 0.00 3.18 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 20 W 7.94 4.51 0.00 2.98 2.42 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 21 M 7.98 4.36 0.00 2.03 2.22 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.77 0.00 22 Q 7.86 4.09 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 23 E 8.15 4.17 0.00 1.84 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 2.31 2.46 0.00 24 G 9.93 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 25 H 7.22 4.74 0.00 3.24 3.35 0.00 5.66 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.22 2.48 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 0.00 0.00 27 T 8.02 3.85 4.31 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 1.44 0.00 0.00 28 T 7.73 3.96 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 29 L 7.63 4.40 0.00 1.56 1.65 1.00 0.90 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 30 R 7.48 4.20 0.00 1.81 1.74 0.00 3.16 0.00 0.00 3.80 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.47 0.00 31 E 7.82 4.57 0.00 1.90 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 2.22 2.29 0.00 32 P 0.00 4.83 0.00 1.95 2.05 0.00 3.79 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.89 0.00 33 F 7.56 5.41 0.00 3.13 2.90 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 34 Q 8.98 4.11 0.00 1.63 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.99 0.00 0.00 0.00 0.00 0.00 1.16 1.35 0.00 35 V 8.23 4.21 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 0.70 0.00 0.00 0.88 0.00 0.00 36 V 8.98 4.75 1.58 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 1.04 0.00 0.00 0.60 0.00 0.00 37 D 9.63 4.58 0.00 2.86 2.82 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 38 V 8.19 5.33 2.38 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 1.23 0.00 0.00 1.17 0.00 0.00 39 R 8.59 4.70 0.00 2.22 2.20 0.00 3.46 0.00 0.00 3.46 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.84 0.00 40 G 8.83 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 0.00 0.00 0.00 0.00 41 S 8.99 4.35 0.00 4.06 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 42 D 8.10 4.74 0.00 2.90 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 43 Y 8.09 4.19 0.00 3.00 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 44 M 7.59 4.13 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.50 0.00 45 G 8.62 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 46 G 5.77 4.53 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 0.00 47 H 8.32 3.92 0.00 3.15 2.57 0.00 5.46 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 48 I 8.07 4.22 1.72 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.63 0.62 0.00 0.00 49 K 8.53 4.09 0.00 1.85 1.79 0.00 1.97 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.49 7.81 50 D 9.03 4.57 0.00 2.89 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 51 G 7.80 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 52 W 9.18 5.29 0.00 3.39 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 53 H 8.98 5.30 0.00 2.78 2.97 0.00 5.86 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 9.34 4.67 0.00 3.05 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 55 A 8.60 4.70 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 56 Y 9.41 4.15 0.00 3.25 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 57 S 8.34 4.03 0.00 3.93 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 58 R 7.93 3.88 0.00 1.69 1.80 0.00 2.64 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.41 0.00 59 L 7.94 4.26 0.00 1.82 1.74 1.17 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.79 3.94 0.00 1.10 1.64 0.00 1.67 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.34 7.81 61 Q 7.84 4.48 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.62 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 62 D 8.35 4.79 0.00 2.58 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 63 P 0.00 4.33 0.00 2.21 2.11 0.00 3.66 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 64 E 8.56 4.03 0.00 2.22 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 2.35 2.47 0.00 65 Y 8.27 4.28 0.00 3.18 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 66 L 8.00 3.99 0.00 1.98 1.84 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.24 3.87 0.00 2.04 2.13 0.00 3.16 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 68 E 8.33 3.90 0.00 2.12 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 2.35 2.34 0.00 69 L 7.63 3.48 0.00 0.95 1.55 0.41 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.09 3.84 0.00 1.87 1.99 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.49 7.81 71 H 8.44 4.09 0.00 3.33 3.46 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.07 3.87 0.00 1.95 1.67 0.00 2.94 0.00 0.00 2.77 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.72 0.00 73 L 8.27 4.13 0.00 1.89 1.74 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.18 4.02 0.00 1.67 1.71 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.05 3.89 0.00 1.94 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 0.00 2.30 2.28 0.00 76 K 8.15 4.12 0.00 2.06 2.04 0.00 1.77 0.00 0.00 1.41 0.00 0.00 2.81 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.46 7.81 77 Q 8.26 3.97 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.52 0.00 0.00 0.00 0.00 0.00 2.34 2.74 0.00 78 A 7.92 4.00 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 79 D 7.53 4.78 0.00 2.77 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 7.82 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 0.00 0.00 0.00 81 R 8.38 4.22 0.00 1.73 1.79 0.00 3.31 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 82 G 8.49 3.63 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 0.00 0.00 0.00 83 A 8.69 4.57 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 84 L 8.61 4.44 0.00 1.76 1.53 0.77 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 85 N 9.01 5.42 0.00 2.95 3.07 0.00 0.00 6.24 7.28 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 86 V 8.87 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 0.37 0.00 0.00 0.91 0.00 0.00 87 I 8.51 5.02 1.79 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 1.12 0.93 0.85 0.00 0.00 88 F 9.56 5.55 0.00 2.96 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 89 H 8.38 4.98 0.00 3.29 3.45 0.00 5.68 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *91 M 8.67 4.64 0.00 2.34 2.44 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.79 0.00 92 L 7.65 5.31 0.00 1.60 1.65 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.69 4.62 0.00 3.83 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 94 Q 7.98 4.63 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.90 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 95 Q 8.47 4.08 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 96 R 7.93 3.62 0.00 1.69 1.38 0.00 3.10 0.00 0.00 3.00 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.48 0.00 97 G 7.92 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 98 P 0.00 4.28 0.00 2.33 2.45 0.00 3.98 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 2.29 2.20 0.00 99 S 7.95 4.12 0.00 3.88 4.07 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 0.00 0.00 0.00 100 A 8.13 4.09 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 0.00 0.00 0.00 0.00 0.00 101 A 7.23 2.98 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 0.00 102 M 8.12 4.03 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.88 0.00 103 L 7.47 3.97 0.00 1.84 1.72 0.82 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.67 4.12 0.00 1.90 1.87 0.99 0.87 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 0.00 105 L 8.05 3.98 0.00 1.91 1.88 0.86 0.85 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 0.00 106 R 8.26 4.27 0.00 1.88 1.97 0.00 3.32 0.00 0.00 3.40 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.80 0.00 107 S 7.79 4.51 0.00 4.06 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 0.00 108 L 7.34 4.61 0.00 1.92 1.69 0.94 0.97 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 0.00 109 D 9.44 4.83 0.00 2.76 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 0.00 110 T 8.59 3.97 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 1.35 0.00 0.00 111 A 7.98 4.07 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 0.00 112 E 8.12 4.29 0.00 2.16 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 2.30 2.36 0.00 113 L 7.29 3.97 0.00 1.82 1.76 0.43 0.36 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 0.00 114 S 7.86 4.37 0.00 3.96 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 0.00 115 R 7.88 4.23 0.00 2.07 2.00 0.00 3.06 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 116 C 7.68 5.49 0.00 2.81 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 0.00 117 R 8.88 4.64 0.00 1.96 1.76 0.00 3.32 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 118 L 8.35 5.24 0.00 1.55 1.69 0.99 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 119 W 9.67 5.50 0.00 3.16 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 0.00 120 V 8.40 4.88 1.20 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 1.10 0.00 0.00 0.75 0.00 0.00 121 L 8.83 4.70 0.00 1.81 1.61 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 122 R 8.91 4.27 0.00 1.90 1.96 0.00 3.46 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.84 0.00 123 G 9.01 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 0.00 124 G 7.90 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 0.00 125 F 8.83 4.16 0.00 3.26 3.32 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 0.00 126 S 8.40 4.16 0.00 4.28 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 0.00 127 R 7.88 3.95 0.00 2.03 1.91 0.00 3.12 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 128 W 7.92 4.08 0.00 3.37 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 0.00 129 Q 7.61 3.59 0.00 1.36 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 1.16 1.81 0.00 130 S 7.21 3.99 0.00 3.87 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 0.00 131 V 6.79 3.68 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 0.00 0.00 -0.41 0.00 0.00 0.50 0.00 0.00 132 Y 6.99 4.38 0.00 1.68 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 0.00 0.00 0.00 0.00 133 G 7.35 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 0.00 0.00 0.00 134 D 7.51 4.51 0.00 2.82 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 0.00 135 D 7.86 4.59 0.00 2.70 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 0.00 136 E 8.74 4.08 0.00 2.02 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 2.36 2.34 0.00 137 S 8.15 4.39 0.00 4.02 4.01 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 0.00 138 V 7.81 4.60 2.45 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 0.73 0.00 0.00 1.04 0.00 0.00 139 T 8.38 5.27 4.46 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 140 A 9.16 4.64 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 0.00 141 G 8.76 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 Y 8.24 4.76 0.00 2.92 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 0.00 143 L 8.06 4.51 0.00 1.76 1.53 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 144 P 0.00 3.97 0.00 2.15 2.15 0.00 3.52 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 145 D 8.30 4.41 0.00 2.68 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 0.00 146 L 7.57 3.90 0.00 1.45 1.34 0.85 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 147 W 7.92 4.49 0.00 3.34 3.38 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 0.00 148 R 7.68 4.05 0.00 1.80 1.74 0.00 3.27 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 149 A 8.93 4.09 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 0.00 150 A 7.62 4.64 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 0.00 151 A 7.30 4.56 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 0.00 152 A 8.62 4.17 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 * Residues marked with a * may have inaccurate shift predictions.