NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.5040 8.3301 116.7295 58.2159 64.5155 173.1907 4 A 3.8890 8.1478 125.0884 51.4563 19.4538 171.8157 5 V 4.3711 8.3337 113.1098 60.7125 33.7765 175.8105 6 G 4.0983 9.9529 109.2586 45.0273 0.0000 173.0452 7 E 5.0758 8.4143 121.8961 54.9673 33.2143 174.0970 8 K 3.9915 7.7269 118.8976 55.7404 34.9949 175.7275 *10 L 4.4009 8.6864 115.6492 55.0402 44.2403 177.2931 11 D 4.3111 8.4665 118.3372 53.7228 44.2560 175.5553 12 D 4.7853 8.7924 124.9756 52.5534 40.1130 176.6490 13 F 3.9530 7.8700 116.9369 58.7538 36.6622 175.6225 14 E 4.4761 8.4357 121.0828 56.9181 30.8468 176.6175 15 G 4.4539 7.5047 109.3082 45.1138 0.0000 174.5987 16 V 3.8415 8.1943 118.3420 60.9551 32.2494 175.4551 17 L 4.4451 8.3373 122.3103 54.5611 41.9396 176.7106 18 N 4.6679 8.9369 120.1063 52.6728 40.3843 174.4762 19 W 5.0368 8.3951 118.1773 55.0684 30.9019 176.0030 20 G 4.4171 9.3430 111.7919 44.8606 0.0000 172.3044 21 S 5.6973 8.7219 115.9714 56.8926 65.9717 173.3038 22 Y 5.2308 8.7056 120.0523 56.1172 41.5339 173.8262 23 S 4.6050 8.4210 114.5854 57.9452 66.3827 172.7170 24 G 3.4058 8.1243 106.0011 45.4175 0.0000 172.9137 25 E 3.8325 9.9845 116.2249 57.4812 27.0154 175.6090 26 G 4.0130 8.4660 107.3466 45.4804 0.0000 174.9641 27 A 4.5142 7.4018 119.7484 51.8363 19.4263 177.1673 28 K 4.7995 8.9275 118.5130 54.6780 36.6609 176.0150 29 V 4.9203 8.2205 121.8071 60.2468 34.5953 174.4286 30 S 4.8468 8.9698 116.8266 57.0121 66.6039 172.8127 31 T 5.1970 8.3595 111.1577 60.1485 71.5752 172.8543 32 K 4.6010 8.2575 120.8352 55.7707 36.0008 175.2196 33 I 4.1510 8.1972 122.7525 61.3514 38.0421 175.7657 34 V 4.4654 8.5800 120.7867 59.7178 35.1948 174.2975 35 S 4.6666 8.7444 116.9120 59.3029 63.4639 174.3970 36 G 4.3193 8.4387 117.0239 44.4551 0.0000 172.9548 37 K 2.8109 7.5503 120.8789 58.5162 32.2249 178.3484 38 T 4.5466 7.1533 106.5483 60.5608 72.4632 173.8736 39 G 3.7431 8.0583 112.0367 46.2582 0.0000 174.9636 40 N 5.3061 9.6143 121.6243 52.7192 40.6605 175.1072 41 G 3.9183 8.4954 110.7214 45.7811 0.0000 174.5886 *43 E 4.3085 8.9669 126.6816 55.4930 31.0969 172.8539 44 V 4.2839 8.1466 126.6876 61.0745 33.9910 174.1172 45 S 5.0436 8.7106 124.9878 56.7256 65.2918 172.9391 46 Y 4.9392 8.0791 122.5109 55.0384 41.6619 174.3619 47 T 4.9595 8.1809 111.3670 58.9640 71.3728 173.3150 48 G 4.7391 8.6321 114.2169 45.1744 0.0000 172.2645 49 T 4.8773 8.1646 110.0061 59.6737 72.5254 174.9579 50 T 3.9163 8.8631 118.0363 66.7522 68.3446 175.3208 51 D 4.7782 7.9617 116.9252 54.1078 41.9157 177.1399 52 G 3.9245 7.6435 107.6807 44.8054 0.0000 172.5603 53 Y 3.6925 7.8609 119.0669 54.2940 41.2272 174.3958 54 W 5.6115 7.6153 116.7969 55.5908 31.5971 173.6649 55 G 3.8922 8.1083 105.9793 46.5863 0.0000 172.0243 56 T 5.5473 9.1290 115.8571 60.0776 70.5716 173.1084 57 V 5.0601 9.8107 127.5113 60.1343 35.2257 173.6966 58 Y 4.5895 7.9272 124.9552 55.7719 40.4932 174.4445 59 S 4.5407 8.6665 123.6672 57.8997 63.9295 173.8060 60 L 4.0910 7.9708 125.5148 52.5920 41.9898 175.5633 61 P 4.2268 0.0000 0.0000 64.6038 31.6821 175.9176 62 D 4.7609 7.9693 118.0188 52.3157 42.9016 175.2251 63 G 3.5333 8.4220 113.7611 44.5645 0.0000 172.2910 64 D 4.7768 7.9582 120.0429 53.1195 40.1955 175.1068 65 W 5.3100 9.2552 125.7883 56.3661 29.4897 178.5980 66 S 4.2005 8.1908 114.6963 60.5893 62.4641 175.1896 67 K 4.0676 7.9412 119.3837 56.3548 32.3829 175.9923 68 W 5.2526 7.9239 118.8755 55.0703 31.6026 175.3591 69 L 4.9367 8.6974 118.5908 55.4409 44.5737 176.4973 70 K 4.3193 8.4145 116.4568 54.2638 37.1636 175.2067 71 I 4.7223 8.1031 121.8127 59.2564 40.7853 174.2086 72 S 5.1054 9.1706 123.5267 56.6141 65.9561 172.4425 73 F 5.6137 8.0691 118.9264 56.2879 41.7153 172.5923 74 D 5.5168 9.4265 121.0077 53.6774 42.7311 175.4936 75 I 5.5207 9.1270 121.8417 59.7810 42.3678 173.5701 76 K 4.6191 8.3322 127.3937 54.9473 35.6138 175.2312 77 S 4.6968 9.0200 122.3302 58.1997 63.1895 173.7339 78 V 4.1432 8.5211 122.9898 62.8285 32.4231 175.1006 *82 A 4.0903 7.8865 121.1473 52.2931 19.0096 175.8318 83 N 5.0847 8.5462 120.6582 51.5715 41.7781 173.5260 84 E 4.4513 8.8795 126.5756 56.4861 30.6485 175.3712 85 I 4.7881 8.9264 119.3739 59.2544 41.7860 173.7480 86 R 5.0967 8.1862 119.2027 54.5213 33.6688 175.6814 87 F 4.9168 9.1779 125.7729 56.3952 42.1659 174.1956 *89 I 4.2404 8.0122 120.1683 61.0374 38.6497 174.6050 90 A 5.1685 8.4437 128.7321 50.1476 21.4114 176.3598 91 E 4.5340 8.9834 122.2988 55.5651 31.7014 176.3800 92 K 4.3688 8.6054 120.3090 56.1122 33.4208 177.3124 93 S 4.6792 8.3856 118.3807 58.3101 63.0509 175.3723 94 I 3.8294 8.6047 119.1839 63.2338 37.5883 176.5092 95 N 4.6232 8.1164 117.4943 53.0045 38.6536 174.0011 96 G 4.2151 8.2528 108.2965 44.8662 0.0000 174.5910 97 V 4.1895 7.3941 117.4870 61.5857 34.0659 174.0932 98 G 3.7216 8.6968 111.6357 44.3346 0.0000 171.8342 99 D 4.8570 8.3033 117.6722 52.3605 41.3186 176.7318 100 G 4.3685 8.7100 109.8258 44.2650 0.0000 172.2600 101 E 4.1666 8.9446 121.7665 57.6882 30.7604 177.0356 102 H 5.2465 9.6699 124.4104 54.8400 30.6310 174.2972 103 W 5.3442 9.2246 122.5214 55.0561 32.0996 175.2398 104 V 5.1571 9.6691 117.3873 60.0240 35.4960 174.2109 105 Y 4.7579 9.0667 123.5017 56.3979 42.1432 174.0683 106 S 5.0690 8.1991 123.3454 58.0944 64.0919 173.6412 107 I 4.7911 9.0256 117.0455 59.5653 41.4151 174.3595 108 T 4.7999 8.4370 120.5437 61.0795 70.3205 172.3107 109 P 4.2719 0.0000 0.0000 62.4930 32.0278 176.0161 110 D 4.9806 8.2719 122.0896 50.9942 42.0267 177.0048 111 S 3.9911 8.5723 112.8460 60.5783 63.0487 174.3522 112 S 4.8531 7.9583 115.7357 55.7657 65.4373 174.4639 113 W 4.6608 8.7614 122.6505 57.1680 29.4794 175.7683 114 K 4.7994 9.1577 123.2027 55.4365 35.9177 175.3193 115 T 4.7945 8.6013 119.3584 62.9477 69.7734 174.0360 116 I 4.1090 8.5633 128.2431 59.4346 39.3623 174.3109 117 E 4.5946 8.5161 128.8490 54.4274 31.2437 174.9700 118 I 4.0376 8.1066 129.1719 58.4912 39.4058 174.0733 119 P 4.4812 0.0000 0.0000 62.2821 31.9721 177.7710 120 F 4.8020 8.8677 121.4806 60.7563 38.9940 177.7465 121 S 4.3734 8.2126 113.4693 60.2735 63.0643 174.9180 122 S 4.5945 8.0704 116.3597 59.4599 63.1971 174.5245 123 F 4.7948 8.1669 119.9191 57.6623 39.5653 175.0200 124 R 5.0471 9.3678 121.4226 54.1828 33.1649 175.4486 125 R 2.8333 8.1942 123.4413 55.6136 30.4573 176.1446 126 R 3.9717 7.9921 127.8030 56.6551 30.1091 176.1289 127 L 4.6115 8.4112 123.9934 55.0660 44.2754 177.6282 128 D 4.5144 8.0775 117.0826 55.8255 39.8133 175.8294 129 Y 4.7343 7.3797 118.3975 56.4167 41.6654 173.3899 130 Q 4.0469 7.3574 124.4918 53.0227 33.0074 173.3519 131 P 4.1585 0.0000 0.0000 61.3738 32.1899 175.5605 132 P 4.1454 0.0000 0.0000 65.4708 31.3019 177.2464 133 G 3.9435 7.8859 107.1062 45.0946 0.0000 173.3062 134 Q 4.3753 7.5070 117.8767 55.6539 29.3371 174.5338 135 D 4.1585 8.2947 120.0704 55.2297 39.3148 176.9801 *137 S 4.3363 8.4420 117.6612 55.9494 65.6173 175.8361 138 G 4.1078 8.7943 107.7837 45.7297 0.0000 173.0545 139 T 4.5248 7.8725 108.5675 59.1199 71.0722 173.6122 140 L 3.3046 7.3673 126.9190 54.4132 41.6466 176.3938 141 D 4.5255 8.9840 128.8832 52.9282 40.0612 177.7188 142 L 3.8899 8.1090 125.6494 56.7902 41.8975 178.6143 143 D 4.8030 7.8469 116.2340 53.7859 40.3509 175.6468 144 N 4.8745 7.8134 118.5974 52.7159 38.8980 173.5544 145 I 4.0141 7.6796 120.4042 60.7735 38.7983 177.6222 146 D 4.3572 8.9744 127.8397 56.0278 42.3632 175.9889 147 S 4.8240 7.2786 110.4923 57.3038 66.2786 173.0967 148 I 4.7085 8.0170 114.0797 59.4777 40.5089 174.1588 149 H 5.7359 7.8745 119.3949 54.3303 33.4562 171.9218 150 F 5.3593 9.5048 120.5184 55.1054 41.1439 174.8407 *152 Y 3.8816 8.3998 120.2796 56.4905 38.6850 174.6097 153 A 4.3336 8.3042 121.7777 51.8164 21.0702 175.0471 154 N 4.9548 7.8916 110.5890 52.5565 39.4876 173.9790 155 N 4.9781 8.8488 116.2953 53.2893 37.6704 174.6313 156 K 4.6115 8.4050 120.1256 56.0120 34.9915 175.2791 157 S 4.6702 8.1637 115.6646 57.0635 66.8899 173.8179 158 G 4.0399 6.3976 107.6032 46.2335 0.0000 172.0858 159 K 5.1837 7.6904 117.9075 54.6917 36.4919 175.9409 160 F 5.3306 8.5660 118.4327 55.3972 42.2553 173.2525 161 V 4.5239 9.0477 119.0813 61.1413 34.3338 174.6960 162 V 5.2358 8.0617 119.4014 60.1130 34.9140 173.9580 163 D 4.8745 9.4343 121.0253 53.0480 45.2033 174.1484 164 N 4.2298 8.7550 116.3870 54.3576 36.2322 174.7877 165 I 4.8398 8.1895 119.2902 61.1072 38.8553 177.1880 166 K 4.8413 9.2025 125.6004 55.5857 36.4660 175.0172 167 L 4.4569 8.3274 122.0693 53.9662 43.3542 175.7654 168 I 4.8430 8.5857 123.4324 59.2327 39.9290 174.5570 169 G 4.6671 9.4382 117.8808 46.4920 0.0000 173.6339 170 A 4.5333 9.1945 126.5784 51.4008 20.0403 177.2891 171 L 4.4804 8.2776 119.8990 53.6995 43.0478 177.5440 172 E 4.2302 8.2224 121.5675 55.5999 28.2298 175.3526 173 H 4.3650 8.2900 120.5122 55.7577 29.5366 175.5544 174 H 4.8105 8.6255 119.6455 56.2102 29.5345 174.8467 175 H 4.4860 7.8080 121.8094 56.0446 29.6918 173.0012 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 S 8.33 4.50 0.00 3.71 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 4 A 8.15 3.89 0.49 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 5 V 8.33 4.37 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 0.67 0.00 0.00 0.92 0.00 0.00 6 G 9.95 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 0.00 0.00 0.00 7 E 8.41 5.08 0.00 2.02 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 2.17 2.25 0.00 8 K 7.73 3.99 0.00 1.23 0.74 0.00 1.80 0.00 0.00 1.40 0.00 0.00 2.85 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.14 1.35 7.81 *10 L 8.69 4.40 0.00 1.92 2.03 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.47 4.31 0.00 2.75 2.03 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 12 D 8.79 4.79 0.00 2.81 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 13 F 7.87 3.95 0.00 3.43 3.20 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 14 E 8.44 4.48 0.00 2.05 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 2.59 2.40 0.00 15 G 7.50 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.19 3.84 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 0.75 0.00 0.00 0.96 0.00 0.00 17 L 8.34 4.45 0.00 1.67 1.71 0.98 1.04 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 18 N 8.94 4.67 0.00 2.21 1.42 0.00 0.00 7.08 7.68 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 19 W 8.40 5.04 0.00 3.27 3.36 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 20 G 9.34 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.72 5.70 0.00 3.82 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 22 Y 8.71 5.23 0.00 3.11 3.13 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 23 S 8.42 4.61 0.00 3.95 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 24 G 8.12 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.98 3.83 0.00 2.16 2.04 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 2.35 2.33 0.00 26 G 8.47 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 0.00 0.00 0.00 27 A 7.40 4.51 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.93 4.80 0.00 1.57 1.58 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.46 7.81 29 V 8.22 4.92 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 0.88 0.00 0.00 0.83 0.00 0.00 30 S 8.97 4.85 0.00 3.79 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 31 T 8.36 5.20 4.15 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 1.19 0.00 0.00 32 K 8.26 4.60 0.00 1.70 1.71 0.00 1.53 0.00 0.00 1.62 0.00 0.00 2.72 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.22 1.32 7.81 33 I 8.20 4.15 1.86 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 1.36 0.86 0.96 0.00 0.00 34 V 8.58 4.47 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 0.70 0.00 0.00 0.88 0.00 0.00 35 S 8.74 4.67 0.00 3.91 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 36 G 8.44 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 37 K 7.55 2.81 0.00 0.79 1.36 0.00 0.81 0.00 0.00 1.29 0.00 0.00 2.99 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.10 1.01 7.81 38 T 7.15 4.55 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 1.11 0.00 0.00 39 G 8.06 3.74 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 0.00 0.00 0.00 40 N 9.61 5.31 0.00 3.07 2.80 0.00 0.00 6.63 6.94 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 41 G 8.50 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 *43 E 8.97 4.31 0.00 1.92 1.68 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 2.01 2.19 0.00 44 V 8.15 4.28 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 0.68 0.00 0.00 0.50 0.00 0.00 45 S 8.71 5.04 0.00 3.57 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 46 Y 8.08 4.94 0.00 1.43 1.45 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 0.00 0.00 0.00 0.00 47 T 8.18 4.96 4.19 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 1.08 0.00 0.00 48 G 8.63 4.74 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 0.00 0.00 0.00 49 T 8.16 4.88 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 50 T 8.86 3.92 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 51 D 7.96 4.78 0.00 2.68 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 52 G 7.64 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 53 Y 7.86 3.69 0.00 2.53 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.62 5.61 0.00 3.27 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 55 G 8.11 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 9.13 5.55 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 1.63 0.00 0.00 57 V 9.81 5.06 2.49 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 1.10 0.00 0.00 0.80 0.00 0.00 58 Y 7.93 4.59 0.00 1.43 1.66 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 59 S 8.67 4.54 0.00 3.76 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 60 L 7.97 4.09 0.00 1.16 1.32 0.30 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.23 0.00 2.17 2.18 0.00 3.52 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 62 D 7.97 4.76 0.00 2.62 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 63 G 8.42 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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2.75 2.93 0.00 0.00 7.19 7.65 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 84 E 8.88 4.45 0.00 2.05 1.87 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 2.29 2.31 0.00 85 I 8.93 4.79 1.87 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.12 1.05 0.00 0.00 86 R 8.19 5.10 0.00 1.57 1.79 0.00 3.01 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.46 0.00 87 F 9.18 4.92 0.00 3.22 3.22 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 *89 I 8.01 4.24 1.67 0.00 0.00 0.52 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 0.49 0.68 0.00 0.00 90 A 8.44 5.17 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 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.98 4.53 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 2.23 2.30 0.00 92 K 8.61 4.37 0.00 1.76 1.65 0.00 1.66 0.00 0.00 1.48 0.00 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0.00 0.00 0.00 0.00 134 Q 7.51 4.38 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.41 2.20 0.00 135 D 8.29 4.16 0.00 2.81 2.60 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 0.00 0.00 0.00 0.00 *137 S 8.44 4.34 0.00 4.07 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 0.00 138 G 8.79 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 0.00 0.00 0.00 139 T 7.87 4.52 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 1.26 0.00 0.00 140 L 7.37 3.30 0.00 0.27 0.78 0.38 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 141 D 8.98 4.53 0.00 2.63 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 0.00 142 L 8.11 3.89 0.00 1.63 1.69 0.97 0.17 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 0.00 143 D 7.85 4.80 0.00 2.75 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 0.00 144 N 7.81 4.87 0.00 2.70 2.58 0.00 0.00 7.13 7.81 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 0.00 145 I 7.68 4.01 0.84 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.24 -0.01 0.00 0.00 146 D 8.97 4.36 0.00 2.56 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 0.00 147 S 7.28 4.82 0.00 3.69 3.71 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 0.00 148 I 8.02 4.71 1.87 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.79 1.21 0.00 0.00 149 H 7.87 5.74 0.00 2.95 3.27 0.00 5.58 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 F 9.50 5.36 0.00 3.38 3.31 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 *152 Y 8.40 3.88 0.00 2.77 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 0.00 153 A 8.30 4.33 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 0.00 154 N 7.89 4.95 0.00 2.88 2.87 0.00 0.00 6.01 8.04 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 0.00 155 N 8.85 4.98 0.00 2.96 3.05 0.00 0.00 5.88 7.13 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 0.00 156 K 8.41 4.61 0.00 2.09 1.90 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.61 1.65 7.81 157 S 8.16 4.67 0.00 3.62 3.59 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 0.00 158 G 6.40 4.04 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 0.00 0.00 0.00 159 K 7.69 5.18 0.00 1.51 1.48 0.00 1.49 0.00 0.00 1.86 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.17 1.16 7.81 160 F 8.57 5.33 0.00 3.16 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 0.00 161 V 9.05 4.52 1.87 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 1.12 0.00 0.00 0.80 0.00 0.00 162 V 8.06 5.24 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 0.14 0.00 0.00 0.36 0.00 0.00 163 D 9.43 4.87 0.00 2.63 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 0.00 164 N 8.75 4.23 0.00 3.09 2.82 0.00 0.00 6.83 7.32 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 0.00 165 I 8.19 4.84 2.20 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.00 1.38 0.00 0.00 166 K 9.20 4.84 0.00 1.75 1.79 0.00 1.36 0.00 0.00 1.61 0.00 0.00 2.76 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 1.32 7.81 167 L 8.33 4.46 0.00 0.27 0.65 -0.59 -0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 168 I 8.59 4.84 1.78 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 1.01 1.02 0.95 0.00 0.00 169 G 9.44 4.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 A 9.19 4.53 1.22 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 0.00 171 L 8.28 4.48 0.00 1.39 1.39 0.86 0.88 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 0.00 172 E 8.22 4.23 0.00 1.90 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 2.27 2.30 0.00 173 H 8.29 4.37 0.00 3.13 3.21 0.00 5.68 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 H 8.63 4.81 0.00 3.04 3.16 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 H 7.81 4.49 0.00 3.07 3.13 0.00 5.93 0.00 0.00 0.00 0.00 6.91 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.