NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.4041 8.4293 116.7597 55.8747 32.1549 173.6131 *5 E 4.4760 8.2610 115.4470 57.8657 30.6326 178.8595 6 L 4.6239 8.8321 118.2481 52.6639 43.2752 175.2188 7 K 4.6185 8.4095 122.9939 54.6393 34.2911 177.0993 8 L 4.3415 8.0737 123.4210 53.6930 40.0790 176.7765 9 I 3.8093 7.7459 121.3430 61.4018 37.9492 176.0189 10 K 3.8132 7.9323 118.7500 57.0559 29.1936 176.0509 11 I 3.6256 7.5052 118.0500 61.4383 37.8304 176.0360 12 D 4.4549 8.7770 125.3963 54.5710 40.9803 175.5413 13 T 4.4793 8.4127 116.3393 61.3963 69.4197 176.6385 14 S 4.1875 8.0799 118.0951 61.6339 63.1666 173.2075 15 H 5.5266 7.6352 111.6692 55.8652 31.9345 171.5870 16 Y 4.8509 7.9059 115.8013 56.3916 41.8896 173.1861 17 F 5.1643 9.5216 117.2736 55.6367 42.8827 174.1327 18 E 5.2871 9.4220 124.1273 54.1833 32.1318 174.8192 19 K 3.7294 8.9527 129.1057 55.9463 32.7811 176.0543 20 K 4.6884 8.4147 126.4338 53.6555 34.8440 174.6418 21 P 4.2233 0.0000 0.0000 63.2919 31.8827 175.0796 22 G 3.9229 9.3979 105.8444 45.2017 0.0000 177.0248 23 L 3.6003 8.8340 124.0396 54.1768 38.3458 179.0982 24 G 4.1398 9.5027 106.9691 46.4229 0.0000 172.4248 25 E 4.3941 9.0479 122.5745 55.0873 30.9519 175.9009 26 R 3.8667 8.7330 127.5948 56.4633 31.1620 175.5920 27 V 4.4905 8.9439 125.7024 61.2697 34.7106 173.6691 28 D 5.3828 8.8252 127.5431 53.3524 42.6044 175.6258 29 Y 4.5663 9.4634 123.7418 57.4873 41.9101 174.5304 30 A 3.6166 9.4079 130.1237 53.0173 16.2339 177.5500 31 G 3.9483 8.5883 106.4702 46.7196 0.0000 174.1392 32 R 4.6528 7.9806 118.1318 54.3595 33.1896 174.0434 33 C 5.0895 8.1093 116.9192 58.4014 29.9370 173.4153 34 F 4.8120 9.3634 121.3925 55.7891 42.8693 173.5604 35 Y 4.8594 8.9431 119.5937 56.3893 39.8967 174.8369 36 N 4.7196 9.5579 125.2889 52.7244 40.0035 175.2279 37 K 4.4613 8.8549 125.1780 56.5276 33.6834 175.8692 38 F 5.1141 8.2323 119.4247 55.5818 41.2963 174.7007 39 Q 4.6553 9.1529 125.1291 54.0939 30.8914 174.6610 40 R 3.6472 8.7736 127.3776 56.2366 31.2725 175.5362 41 V 3.9089 8.1371 126.2284 60.3258 33.5645 175.9386 42 N 4.8008 8.1222 129.9349 51.7190 38.9051 173.4363 43 A 4.3784 6.7904 131.5122 51.9464 23.2358 179.0933 *45 L 3.6421 8.7688 127.4548 56.9930 41.9153 176.1059 46 T 4.3544 7.6431 116.6717 60.2661 71.8453 175.2765 47 S 4.0138 8.3926 115.1577 61.4646 62.1820 175.7758 48 S 4.0523 8.0657 115.2843 61.6498 61.9944 176.1237 49 L 3.9102 7.7397 121.2998 57.8037 41.2858 179.6248 50 I 3.6182 7.5602 119.4312 64.5119 37.1284 178.5488 51 Q 4.1318 8.0021 118.6671 58.6348 28.4486 178.8460 52 K 3.9438 7.7674 120.8058 59.5504 32.1862 178.2288 53 H 4.6077 8.2744 120.0351 58.9153 29.5985 177.2547 54 L 4.1972 8.2769 119.0611 57.0619 41.4984 178.6847 55 K 4.2687 7.7675 116.2296 55.6228 32.4295 176.7379 56 R 3.9306 7.9396 117.4312 57.3044 28.0937 177.2345 57 E 4.2479 8.2664 118.7005 58.1154 30.2233 176.4115 58 I 4.6830 7.3162 117.3393 59.4097 42.5303 173.4470 59 E 4.8266 8.8324 125.5874 54.7062 32.0386 173.9882 60 I 5.3824 8.7128 127.2368 59.4439 40.6902 174.6325 61 A 5.2997 9.4920 127.1304 50.4221 22.3710 175.0226 62 H 5.1990 8.8957 116.1957 53.9466 31.6911 173.9087 63 N 4.8167 8.6719 118.6458 52.3864 38.9119 174.8910 64 L 4.0145 8.1742 128.6731 57.2714 42.4039 176.7742 65 I 4.2530 7.9162 119.7932 59.6580 37.4469 175.6953 66 L 4.4429 8.8923 126.4803 53.1118 42.7806 176.4355 67 R 3.9519 8.2475 119.7929 58.1337 30.2717 175.4826 68 N 4.1975 8.7997 118.1133 53.8762 36.5600 174.6642 69 D 4.3483 7.3237 114.2509 55.7047 39.0143 172.9854 70 K 5.0524 7.3861 118.1397 54.6083 35.9709 176.0780 71 V 4.7678 8.3005 113.2717 59.9295 34.6840 176.6930 72 E 4.4353 8.9885 122.6131 58.1805 30.8800 175.9970 73 N 5.4879 8.2217 114.9228 51.3493 42.7722 173.9386 74 I 4.6624 8.2583 114.6828 59.3965 40.9070 174.6037 75 V 4.9448 8.8435 122.8306 61.4350 35.2735 173.7504 76 F 5.0605 9.3924 126.3802 56.2975 41.0640 174.4184 77 D 5.2315 9.7408 124.9140 52.9813 42.1659 173.6724 78 Y 4.6375 8.8845 128.0340 56.1970 40.0708 175.3108 79 N 3.9183 8.5903 126.7215 53.0115 39.3005 174.9087 80 G 3.9057 5.3800 110.3328 44.0360 0.0000 175.0375 81 R 4.7099 8.6694 119.5808 55.8384 30.4656 175.6913 82 N 5.1582 8.8154 117.7055 51.1183 38.7748 172.8928 83 P 3.9855 0.0000 0.0000 65.4922 31.8629 178.5154 84 E 4.3510 8.3949 118.0552 59.2267 29.5296 179.1593 85 R 3.9002 8.2987 118.5271 59.2762 30.1988 177.8981 86 F 3.8675 8.0696 120.5445 61.6894 39.0850 176.5843 87 Y 3.5696 8.3798 119.1265 60.5912 38.5884 177.1773 88 H 4.8455 8.1444 120.5000 58.9296 30.0703 177.4559 89 K 3.7961 7.7099 119.6295 58.9624 31.7112 179.2757 90 A 3.2137 7.1816 121.4177 54.8848 18.1414 179.6828 91 Q 3.2751 7.3595 116.3922 59.1162 28.0298 178.8330 92 L 3.8293 7.3290 120.4146 57.2835 41.7017 179.1676 93 L 3.8708 7.4563 119.9100 58.0647 42.0159 178.7505 94 L 4.0322 7.7194 119.0793 58.2098 41.4940 179.8883 95 R 4.3002 7.9466 119.0083 58.7631 29.7360 178.8384 96 E 3.9977 7.6969 117.1847 58.8353 29.7134 177.7056 97 E 4.4088 7.8104 115.8860 56.2501 29.7944 177.2372 98 G 3.7250 7.7801 107.5814 44.9794 0.0000 173.7402 99 F 4.6331 8.2586 118.8426 55.8295 41.1153 174.8850 *101 N 4.7985 8.3228 119.2129 53.6126 39.8145 173.3580 102 F 5.3980 8.0690 117.5926 56.0184 42.2247 173.5759 103 T 5.1326 9.3460 116.1148 62.1194 72.7411 172.6907 104 A 5.3139 8.9075 128.6539 50.8031 21.1611 175.3567 105 Y 5.2640 9.3608 119.6966 55.9044 42.1497 175.0582 106 N 5.0409 9.4379 120.9342 54.0114 39.8992 174.8886 107 T 5.2180 7.9146 114.7195 60.0051 71.2411 173.9599 108 K 3.7847 9.0820 119.3439 60.0979 32.9456 177.2343 109 T 4.2505 7.6570 116.8833 61.0688 69.3168 172.3813 110 P 4.4175 0.0000 0.0000 64.2950 31.9424 175.0138 111 G 4.2906 9.1063 109.8537 45.7808 0.0000 173.6473 112 H 4.9641 8.2276 115.9860 55.4453 30.3920 174.9004 113 L 5.1578 8.8517 119.8520 53.6002 46.8725 174.8755 114 H 5.5203 9.3592 118.3742 54.2735 31.4775 173.3474 115 L 5.2637 9.2660 126.9850 54.0266 43.0318 174.4717 116 Y 4.8088 9.6915 125.9157 57.3000 39.7582 174.9530 117 V 4.4314 8.9903 125.1545 61.6964 33.0813 175.0029 118 H 5.0693 8.9167 128.2731 55.2400 25.9791 174.9961 119 K 4.2533 8.4425 122.5682 56.9119 33.3760 177.6875 120 G 4.1189 8.3175 104.0842 42.4833 0.0000 172.4778 121 H 4.5940 8.5311 115.9507 56.7497 29.1897 175.4522 122 T 4.7729 8.8730 119.1951 61.2657 72.9695 173.1813 123 E 4.1547 8.9109 126.2337 56.5928 30.6144 177.0940 124 L 4.0273 8.8793 128.8463 58.3901 42.1813 179.4974 125 G 3.7430 8.3655 104.9807 48.0428 0.0000 174.8617 126 E 4.0439 8.3263 121.5712 58.8634 29.6871 179.1530 127 G 3.5760 8.3631 105.9529 47.6647 0.0000 175.3783 128 E 4.1648 8.4839 122.7900 58.6040 29.4820 179.5878 129 R 3.8152 8.0984 118.5545 59.2324 30.1910 178.2953 130 L 3.9696 8.1802 120.6614 58.1986 42.1013 179.3226 131 V 3.5072 7.7909 119.1575 64.5192 30.9953 178.1540 132 K 3.8475 7.7475 119.4864 59.6581 32.1041 178.6241 133 T 4.0661 7.8773 114.8732 66.5340 68.6628 176.4112 134 L 4.2865 8.1218 120.9620 57.7700 41.5674 179.9433 135 S 4.7294 8.2067 110.2625 59.4539 62.3874 175.8245 *137 K 4.8441 7.9129 120.2161 56.1424 34.0060 177.9728 138 L 3.9633 8.7175 120.1069 58.0658 41.7120 178.6913 139 A 4.9541 8.5240 120.9286 54.2403 18.7013 179.1827 140 Q 4.2502 8.3080 117.2954 57.9618 28.5354 177.8755 141 G 4.1228 8.1891 106.5834 45.1407 0.0000 173.3468 142 L 4.9941 7.7287 119.3430 51.7114 45.5106 174.0307 143 P 4.3437 0.0000 0.0000 62.7124 31.5604 175.9154 144 K 2.5112 8.3114 123.4277 56.1162 31.9767 175.8638 145 E 4.8032 7.9420 128.1042 55.7011 31.2360 175.1180 146 W 5.6169 7.4853 114.5287 55.0392 32.1263 173.7661 147 K 4.9154 9.4985 119.2475 54.7997 35.3760 175.7000 148 V 4.9604 8.3967 114.0231 59.7838 34.7787 175.3289 149 F 5.1039 9.0945 121.7272 55.0007 42.6156 173.0353 150 P 5.1544 0.0000 0.0000 62.9778 32.9248 175.0806 151 S 4.2670 8.9404 114.6675 56.7179 65.2435 173.5373 152 N 4.5674 8.2481 122.3211 53.0690 37.4945 175.9476 153 E 3.9360 7.2472 119.7928 58.2289 29.5535 176.3383 154 W 4.1488 6.1954 113.5000 52.8569 31.5081 172.8137 155 P 3.2303 0.0000 0.0000 61.8447 31.4940 177.8908 156 K 3.8996 8.5358 119.8765 59.7231 32.0274 178.8609 157 E 4.0544 8.1240 113.6002 57.5942 29.6293 177.0390 158 F 4.0657 8.2349 118.0214 58.0305 40.2948 175.8969 159 N 5.1411 8.0304 121.7084 52.6759 37.3773 173.9621 160 I 4.7594 6.7869 110.4614 58.8736 41.7184 176.4678 161 L 4.4137 8.0232 122.2292 52.3222 45.0499 175.9903 162 A 4.4252 8.7113 125.3685 52.3898 18.8682 177.1614 163 L 4.0648 8.1242 122.1232 53.9340 42.2265 175.9028 164 P 4.3161 0.0000 0.0000 63.1739 32.1267 175.4501 165 Y 4.6178 8.4752 117.3649 59.8083 39.2956 175.9288 166 E 4.9130 8.0999 116.0171 54.8098 34.6519 174.5409 167 V 4.0385 8.4076 122.2022 62.8187 31.8796 175.4404 168 F 4.4896 9.3672 131.2459 60.6300 40.0006 174.9401 169 A 4.3929 7.4921 117.5483 51.2011 22.6730 174.4385 170 K 4.8274 8.0106 117.9765 55.6056 35.3493 174.2671 171 E 4.6965 8.8135 127.0443 54.5402 33.1877 174.3979 172 R 4.7826 8.0742 122.7136 54.7240 34.5005 174.3038 173 G 3.9780 8.0393 109.4606 45.6631 0.0000 172.4572 174 S 4.7561 8.4291 112.6322 56.4021 66.0423 173.3418 175 S 4.7675 8.4554 115.1054 56.3283 65.2342 173.2126 176 W 4.9921 8.6829 134.8466 55.8435 33.2310 173.7474 177 A 4.0022 7.4383 127.4462 50.0192 21.7661 175.6295 178 K 3.8998 7.7818 117.1470 57.3276 33.8096 175.4823 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 3 E 8.43 4.40 0.00 2.01 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 0.00 2.13 1.88 0.00 *5 E 8.26 4.48 0.00 2.09 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 2.18 2.34 0.00 6 L 8.83 4.62 0.00 1.60 1.58 0.90 0.75 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 7 K 8.41 4.62 0.00 1.74 1.77 0.00 1.66 0.00 0.00 1.81 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.54 7.81 8 L 8.07 4.34 0.00 1.58 1.60 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.75 3.81 1.60 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 -0.07 0.95 0.00 0.00 10 K 7.93 3.81 0.00 1.95 1.91 0.00 2.17 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.46 7.81 11 I 7.51 3.63 1.77 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.23 0.85 0.00 0.00 12 D 8.78 4.45 0.00 2.69 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 13 T 8.41 4.48 4.40 0.00 0.00 0.00 0.00 0.00 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 14 S 8.08 4.19 0.00 4.06 4.10 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 15 H 7.64 5.53 0.00 3.16 3.19 0.00 5.58 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.91 4.85 0.00 3.27 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 17 F 9.52 5.16 0.00 3.00 3.19 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 0.00 18 E 9.42 5.29 0.00 2.17 1.82 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 2.21 2.31 0.00 19 K 8.95 3.73 0.00 0.79 1.33 0.00 1.76 0.00 0.00 1.53 0.00 0.00 2.80 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.06 0.21 7.81 20 K 8.41 4.69 0.00 1.53 1.63 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.63 7.81 21 P 0.00 4.22 0.00 2.02 1.96 0.00 3.62 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 22 G 9.40 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 23 L 8.83 3.60 0.00 1.86 1.33 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 24 G 9.50 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 0.00 0.00 0.00 25 E 9.05 4.39 0.00 2.10 1.90 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 2.34 2.31 0.00 26 R 8.73 3.87 0.00 1.73 1.79 0.00 3.21 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.25 0.00 27 V 8.94 4.49 2.20 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 1.00 0.00 0.00 1.16 0.00 0.00 28 D 8.83 5.38 0.00 2.64 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 29 Y 9.46 4.57 0.00 2.86 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 30 A 9.41 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.59 3.95 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 0.00 0.00 0.00 32 R 7.98 4.65 0.00 2.14 1.57 0.00 3.21 0.00 0.00 3.06 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.75 0.00 33 C 8.11 5.09 0.00 2.78 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 34 F 9.36 4.81 0.00 2.75 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 35 Y 8.94 4.86 0.00 3.01 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 36 N 9.56 4.72 0.00 3.02 2.86 0.00 0.00 6.72 6.72 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 37 K 8.85 4.46 0.00 1.79 1.73 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.57 7.81 38 F 8.23 5.11 0.00 2.75 3.05 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 0.00 0.00 0.00 39 Q 9.15 4.66 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.00 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 40 R 8.77 3.65 0.00 1.76 1.71 0.00 3.11 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.88 0.00 41 V 8.14 3.91 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 0.00 0.00 0.64 0.00 0.00 0.65 0.00 0.00 42 N 8.12 4.80 0.00 2.66 2.69 0.00 0.00 6.90 7.35 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 43 A 6.79 4.38 0.99 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 *45 L 8.77 3.64 0.00 1.66 1.67 0.54 0.85 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 46 T 7.64 4.35 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 1.20 0.00 0.00 47 S 8.39 4.01 0.00 3.88 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 48 S 8.07 4.05 0.00 3.90 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 49 L 7.74 3.91 0.00 1.67 1.37 0.49 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.56 3.62 1.93 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.50 0.84 0.00 0.00 51 Q 8.00 4.13 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.64 2.50 0.00 52 K 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.95 0.99 0.00 0.00 61 A 9.49 5.30 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.90 5.20 0.00 3.22 3.40 0.00 5.26 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 63 N 8.67 4.82 0.00 3.08 2.93 0.00 0.00 6.96 7.78 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 64 L 8.17 4.01 0.00 1.55 1.80 0.95 0.95 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 65 I 7.92 4.25 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.75 0.94 0.00 0.00 66 L 8.89 4.44 0.00 1.69 1.60 0.88 0.72 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 67 R 8.25 3.95 0.00 1.79 1.86 0.00 3.37 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 68 N 8.80 4.20 0.00 2.94 2.94 0.00 0.00 7.22 8.06 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 69 D 7.32 4.35 0.00 2.83 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 70 K 7.39 5.05 0.00 1.65 1.61 0.00 1.64 0.00 0.00 1.83 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.33 7.81 71 V 8.30 4.77 2.28 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 0.90 0.00 0.00 1.01 0.00 0.00 72 E 8.99 4.44 0.00 2.01 2.12 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 2.59 2.41 0.00 73 N 8.22 5.49 0.00 2.74 2.89 0.00 0.00 6.78 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 74 I 8.26 4.66 1.77 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 1.02 1.14 0.89 0.00 0.00 75 V 8.84 4.94 1.90 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 0.64 0.00 0.00 0.36 0.00 0.00 76 F 9.39 5.06 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 77 D 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103 T 9.35 5.13 4.34 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 0.52 0.00 0.00 104 A 8.91 5.31 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 0.00 105 Y 9.36 5.26 0.00 2.97 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 0.00 106 N 9.44 5.04 0.00 2.83 2.87 0.00 0.00 6.66 7.86 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 0.00 107 T 7.91 5.22 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 1.07 0.00 0.00 108 K 9.08 3.78 0.00 1.82 2.11 0.00 1.60 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.50 7.81 109 T 7.66 4.25 3.80 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 0.99 0.00 0.00 110 P 0.00 4.42 0.00 2.04 2.01 0.00 3.60 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 2.00 2.06 0.00 111 G 9.11 4.29 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.48 4.16 0.00 2.11 1.92 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 2.30 2.31 0.00 129 R 8.10 3.82 0.00 1.97 2.07 0.00 3.12 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 130 L 8.18 3.97 0.00 1.87 1.70 1.10 1.33 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 0.00 131 V 7.79 3.51 1.94 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 0.61 0.00 0.00 0.47 0.00 0.00 132 K 7.75 3.85 0.00 1.78 2.07 0.00 1.68 0.00 0.00 1.62 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.51 7.81 133 T 7.88 4.07 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 1.25 0.00 0.00 134 L 8.12 4.29 0.00 2.02 1.97 0.83 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 135 S 8.21 4.73 0.00 4.11 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 *137 K 7.91 4.84 0.00 2.10 1.91 0.00 2.11 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.48 1.64 7.81 138 L 8.72 3.96 0.00 1.74 1.97 0.58 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 139 A 8.52 4.95 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 Q 8.31 4.25 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 141 G 8.19 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 0.00 0.00 0.00 142 L 7.73 4.99 0.00 2.19 2.01 1.01 1.23 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 0.00 143 P 0.00 4.34 0.00 2.22 2.11 0.00 3.92 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.04 0.00 144 K 8.31 2.51 0.00 1.22 1.38 0.00 1.39 0.00 0.00 1.41 0.00 0.00 2.59 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.64 0.21 7.81 145 E 7.94 4.80 0.00 1.98 1.63 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 2.21 2.45 0.00 146 W 7.49 5.62 0.00 3.45 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 0.00 147 K 9.50 4.92 0.00 2.00 1.88 0.00 1.50 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.46 1.44 7.81 148 V 8.40 4.96 1.77 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 0.29 0.00 0.00 0.82 0.00 0.00 149 F 9.09 5.10 0.00 2.82 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 0.00 150 P 0.00 5.15 0.00 2.12 2.23 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.98 0.00 151 S 8.94 4.27 0.00 3.23 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 0.00 152 N 8.25 4.57 0.00 2.84 2.94 0.00 0.00 6.13 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 0.00 153 E 7.25 3.94 0.00 1.16 1.65 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 2.13 1.84 0.00 154 W 6.20 4.15 0.00 2.24 2.70 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 0.00 155 P 0.00 3.23 0.00 2.04 1.71 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.09 0.00 156 K 8.54 3.90 0.00 1.83 1.89 0.00 1.70 0.00 0.00 1.90 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.46 7.81 157 E 8.12 4.05 0.00 2.02 2.12 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 2.35 2.32 0.00 158 F 8.23 4.07 0.00 2.93 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 0.00 159 N 8.03 5.14 0.00 3.06 2.91 0.00 0.00 6.42 6.60 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 0.00 160 I 6.79 4.76 1.35 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 -0.13 -0.05 0.00 0.00 161 L 8.02 4.41 0.00 1.34 1.32 0.43 -0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 162 A 8.71 4.43 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 0.00 163 L 8.12 4.06 0.00 0.92 1.30 0.70 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 164 P 0.00 4.32 0.00 1.80 1.60 0.00 3.42 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.86 0.00 165 Y 8.48 4.62 0.00 3.13 3.08 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 0.00 166 E 8.10 4.91 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 2.44 2.44 0.00 167 V 8.41 4.04 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 0.57 0.00 0.00 0.99 0.00 0.00 168 F 9.37 4.49 0.00 3.09 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 0.00 169 A 7.49 4.39 0.44 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 0.00 0.00 0.00 0.00 0.00 0.00 170 K 8.01 4.83 0.00 1.63 1.54 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.64 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.26 1.36 7.81 171 E 8.81 4.70 0.00 1.75 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 1.90 2.11 0.00 172 R 8.07 4.78 0.00 1.61 1.71 0.00 3.47 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 173 G 8.04 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 0.00 174 S 8.43 4.76 0.00 3.96 3.81 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 0.00 175 S 8.46 4.77 0.00 3.81 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 0.00 176 W 8.68 4.99 0.00 3.21 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 0.00 177 A 7.44 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 K 7.78 3.90 0.00 1.87 1.64 0.00 1.50 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.98 1.27 7.81 * Residues marked with a * may have inaccurate shift predictions.