NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5898 8.1933 115.5824 58.0825 63.7418 172.9081 3 V 4.1942 8.5438 121.0721 61.4695 32.8845 174.9986 4 T 4.5650 9.7544 121.1777 62.7079 73.1647 172.6855 5 Q 4.8346 8.1500 129.1163 53.7726 29.1965 174.0359 6 P 4.3843 0.0000 0.0000 65.4573 31.2615 176.2311 7 D 4.8211 8.0266 117.8407 52.2223 42.2998 175.9918 8 A 4.6223 8.5972 125.5051 53.0026 20.7994 176.2504 9 R 4.8401 8.0072 114.8403 54.6190 32.5763 175.1586 10 V 4.5045 8.5230 126.3202 61.4591 34.6956 174.2562 11 T 5.1661 8.6203 123.4485 61.9718 71.9974 173.6703 12 V 4.5964 8.6243 117.4789 59.4694 36.6101 175.2768 13 S 4.5697 8.5448 118.8257 58.0363 64.2979 173.1975 14 E 4.0632 8.7233 123.8411 58.6570 28.8550 175.6146 15 G 4.0566 9.6255 115.3049 44.9780 0.0000 173.4678 16 A 4.2001 7.8470 120.5856 51.7945 19.6708 177.4652 17 S 5.2639 8.3169 114.8163 57.7486 64.2405 173.7696 18 L 4.7844 8.4280 122.8801 53.6630 45.7504 175.3724 19 Q 4.7771 8.4510 123.1119 54.5288 32.9271 173.8993 20 L 4.5995 8.0848 124.4199 52.7731 43.7953 176.7862 21 R 4.5101 8.6766 123.0845 56.4376 31.6212 176.7725 22 C 5.1939 8.5720 115.2789 56.1912 48.3470 172.4002 23 K 5.5835 8.8011 125.3366 54.6994 35.0652 174.5274 24 Y 5.2024 8.6301 122.3030 55.3214 40.8198 174.8700 25 S 4.6348 8.6126 117.9833 56.8740 62.8207 172.8641 26 Y 4.6961 8.0381 123.4809 56.2001 41.8508 177.0778 27 S 4.3021 8.7540 117.8810 61.6094 63.2691 173.8214 28 A 4.5337 7.4151 120.8898 51.3931 21.5263 174.7791 29 T 3.8812 8.6153 108.0751 61.8909 68.6323 171.6818 30 P 4.5261 0.0000 0.0000 61.0891 34.2157 173.0739 31 Y 4.1692 8.1672 115.1896 56.5819 40.5625 174.7413 32 L 4.8995 7.4573 123.9424 52.8917 44.1702 175.7922 33 F 5.5185 9.3242 120.8579 55.6755 44.1170 174.2041 34 W 5.5362 9.3145 118.2696 55.9612 32.6295 173.9290 35 Y 5.2372 9.3833 123.7614 56.3151 39.9707 175.3726 36 V 4.2143 8.6897 123.7248 59.6926 34.4965 174.3658 37 Q 4.5329 8.4552 125.2210 54.4705 31.1167 173.6013 38 Y 4.8485 8.5654 124.8918 57.3048 39.5032 173.1273 39 P 3.9947 0.0000 0.0000 61.9707 31.7474 175.5878 40 R 3.9217 9.0057 122.0296 57.0867 28.2436 174.9636 41 Q 4.5859 7.6777 112.5650 53.6335 33.0449 174.5074 42 G 4.0143 8.3164 106.6396 45.0261 0.0000 171.9109 43 P 4.8160 0.0000 0.0000 62.5645 32.2622 176.1603 44 Q 4.7462 9.2323 121.4322 53.7726 32.4155 174.8873 45 L 3.1050 8.2736 124.9463 54.8727 41.5546 176.2376 46 L 4.2531 8.9105 130.5973 57.4993 43.2949 176.3051 47 L 4.5942 7.6495 116.3288 55.0816 43.3740 173.2321 48 K 5.1352 8.5012 117.9965 55.9159 35.9442 175.3844 49 Y 4.3451 8.1375 121.6377 57.1154 40.7689 174.8543 50 Y 4.1487 8.0631 124.2721 58.8124 38.9611 176.1965 51 S 4.3394 7.2659 111.4574 57.8984 66.4378 173.0602 52 G 4.0670 9.1400 108.7960 43.7723 0.0000 174.9687 53 D 4.3695 9.0220 126.5451 54.2053 40.8816 174.4686 54 P 4.3255 0.0000 0.0000 63.8521 32.3319 175.5042 55 V 4.6609 8.5338 121.6207 61.7338 32.9891 174.9334 56 V 4.5533 8.7303 122.0427 59.8848 34.1791 175.8083 57 Q 4.7500 8.6510 122.4573 55.3605 30.8768 174.7428 58 G 4.3114 8.6398 106.8313 44.7862 0.0000 172.7452 59 V 3.7811 7.9334 120.2106 64.1196 32.4738 175.4290 60 N 4.0862 8.8248 122.0410 56.2596 35.4649 174.3532 61 G 3.9547 7.3942 102.6065 46.6317 0.0000 171.1555 62 F 5.1612 7.6600 116.0037 55.3183 41.9979 175.6370 63 E 5.2059 8.9685 119.5749 55.0178 33.2749 173.8761 64 A 4.8290 8.7575 122.2083 50.1243 23.3149 174.3201 65 E 5.0649 8.5484 120.3752 54.4594 32.4510 174.4812 66 F 5.5513 9.8434 129.6376 56.9327 41.5012 175.1810 67 S 3.7477 8.3911 119.7113 56.3879 64.5107 174.4526 68 K 4.2413 8.2246 129.2404 58.7235 32.3584 178.0742 69 S 4.1575 7.8806 112.7301 61.3659 62.7643 174.7922 70 N 4.4053 8.2806 118.4189 52.4817 39.6289 174.7178 71 S 3.9485 7.9670 113.6025 59.7415 60.7755 170.9948 72 S 5.0710 7.5010 114.1025 56.8638 67.0045 174.7638 73 F 6.3000 8.8916 122.1582 56.1011 38.5238 173.4517 74 H 4.9033 8.2903 119.0193 55.5960 30.5794 175.4698 75 L 4.3293 8.6133 125.2347 54.1251 44.3019 174.7974 76 R 4.8460 7.8752 119.4890 55.4839 34.2696 173.3034 77 K 4.4474 8.8050 124.9816 54.6250 35.5792 175.9891 78 A 3.8522 8.1770 128.4630 54.6450 18.5842 176.9671 79 S 4.6458 7.5596 113.1711 55.2515 65.5841 172.6750 80 V 4.2899 8.2170 121.9332 61.1294 32.3638 176.4707 81 H 4.5111 9.2532 127.2686 55.2222 32.4151 175.2938 82 R 3.8248 8.5480 116.7530 59.6517 30.0366 179.0614 83 S 4.1951 8.2814 110.6142 61.4140 62.6957 175.3552 84 D 4.7853 7.6059 119.5021 56.5941 40.7383 176.7825 85 S 4.5350 8.0450 115.7334 59.2198 63.4230 174.1040 86 A 4.2805 8.1757 124.7894 52.3239 24.8347 174.0735 87 V 4.6089 7.1234 115.6307 61.6096 34.0162 175.0418 88 Y 4.7703 8.8455 125.5352 56.2367 40.3880 174.7653 89 F 5.3680 9.4932 123.1535 55.9107 42.3678 174.1941 90 C 4.2873 8.9066 121.1616 54.8649 46.0374 172.3811 91 A 5.9350 8.7797 128.4047 49.6167 21.7571 175.3835 92 V 5.2172 7.6860 117.3064 59.4706 36.1976 174.8141 93 S 4.2290 8.2653 113.5492 57.6917 64.3951 174.3951 *99 L 4.6483 8.3610 128.2666 54.5982 43.2199 175.4191 100 E 4.7822 7.6808 118.3751 53.6275 32.2049 174.5034 101 R 3.6878 8.5928 118.7541 57.6484 30.7032 177.7750 102 P 3.8374 0.0000 0.0000 64.1510 27.9901 173.8426 103 Y 4.9132 7.1104 119.1013 59.6679 40.3698 176.2832 104 L 5.1529 7.3545 121.3999 56.3040 43.5537 172.7917 105 T 3.6907 7.2776 117.3972 63.2991 69.8322 175.9555 106 F 4.9557 8.2388 125.8901 56.6562 41.3939 174.4427 107 G 4.3572 8.2538 106.7796 44.1153 0.0000 174.5988 108 S 4.2831 8.9667 114.3651 59.7918 62.7755 175.2935 109 G 4.2707 9.4468 104.8077 45.0892 0.0000 171.8765 110 T 4.4836 7.7027 112.1765 62.7610 73.0099 173.2221 111 K 4.6001 9.2859 130.1263 55.6137 32.6198 175.1812 112 V 5.0476 9.1438 128.3474 61.7229 33.0423 174.7231 113 I 4.9723 8.3890 127.4875 59.7484 41.1584 175.5182 114 V 5.5315 8.0389 125.0429 59.8062 33.9454 176.0140 115 L 4.1684 8.1139 119.0159 55.7325 42.5595 175.6763 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 2 S 8.19 4.59 0.00 3.96 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 3 V 8.54 4.19 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 0.79 0.00 0.00 1.07 0.00 0.00 4 T 9.75 4.57 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 1.27 0.00 0.00 5 Q 8.15 4.83 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.89 0.00 0.00 0.00 0.00 0.00 2.50 2.41 0.00 6 P 0.00 4.38 0.00 2.22 2.26 0.00 3.89 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 7 D 8.03 4.82 0.00 2.72 2.67 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 8 A 8.60 4.62 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 9 R 8.01 4.84 0.00 1.79 1.82 0.00 3.25 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 10 V 8.52 4.50 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 0.98 0.00 0.00 0.94 0.00 0.00 11 T 8.62 5.17 4.25 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 1.27 0.00 0.00 12 V 8.62 4.60 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 0.75 0.00 0.00 0.89 0.00 0.00 13 S 8.54 4.57 0.00 3.76 3.75 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 0.00 0.00 0.00 14 E 8.72 4.06 0.00 1.93 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 2.18 2.26 0.00 15 G 9.63 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 16 A 7.85 4.20 1.26 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 0.00 0.00 17 S 8.32 5.26 0.00 3.71 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 18 L 8.43 4.78 0.00 1.62 1.27 0.81 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.45 4.78 0.00 1.84 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.57 0.00 0.00 0.00 0.00 0.00 2.15 2.30 0.00 20 L 8.08 4.60 0.00 1.12 1.57 0.43 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.68 4.51 0.00 1.74 1.94 0.00 3.24 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.45 0.00 22 C 8.57 5.19 0.00 3.33 3.46 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 0.00 23 K 8.80 5.58 0.00 1.84 1.72 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.49 7.81 24 Y 8.63 5.20 0.00 3.11 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 25 S 8.61 4.63 0.00 3.91 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 26 Y 8.04 4.70 0.00 3.34 3.18 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 27 S 8.75 4.30 0.00 3.93 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 7.42 4.53 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 29 T 8.62 3.88 4.03 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 1.31 0.00 0.00 30 P 0.00 4.53 0.00 1.73 1.58 0.00 3.41 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.50 0.00 31 Y 8.17 4.17 0.00 3.02 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 32 L 7.46 4.90 0.00 0.27 0.75 0.17 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 33 F 9.32 5.52 0.00 3.27 3.25 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 34 W 9.31 5.54 0.00 3.40 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 35 Y 9.38 5.24 0.00 3.05 2.91 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 36 V 8.69 4.21 1.57 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 0.47 0.00 0.00 -0.48 0.00 0.00 37 Q 8.46 4.53 0.00 2.09 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.91 0.00 0.00 0.00 0.00 0.00 2.21 2.40 0.00 38 Y 8.57 4.85 0.00 2.97 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 39 P 0.00 3.99 0.00 2.11 1.97 0.00 3.96 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 40 R 9.01 3.92 0.00 1.94 2.04 0.00 3.26 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 41 Q 7.68 4.59 0.00 2.42 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 42 G 8.32 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 43 P 0.00 4.82 0.00 1.91 2.00 0.00 3.56 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.01 0.00 44 Q 9.23 4.75 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.99 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 45 L 8.27 3.10 0.00 1.13 1.43 0.76 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.91 4.25 0.00 1.77 1.85 0.66 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.65 4.59 0.00 1.95 1.77 1.20 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.50 5.14 0.00 1.18 1.82 0.00 0.61 0.00 0.00 1.59 0.00 0.00 2.61 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.19 1.05 7.81 49 Y 8.14 4.35 0.00 3.21 2.46 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 0.00 50 Y 8.06 4.15 0.00 2.84 2.75 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 0.00 0.00 0.00 51 S 7.27 4.34 0.00 3.86 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 52 G 9.14 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 0.00 0.00 0.00 53 D 9.02 4.37 0.00 2.71 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 54 P 0.00 4.33 0.00 2.25 2.31 0.00 3.73 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 2.07 1.96 0.00 55 V 8.53 4.66 2.29 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 0.80 0.00 0.00 0.94 0.00 0.00 56 V 8.73 4.55 2.23 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 0.92 0.00 0.00 1.17 0.00 0.00 57 Q 8.65 4.75 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 58 G 8.64 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 0.00 0.00 0.00 0.00 59 V 7.93 3.78 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.97 0.00 0.00 60 N 8.82 4.09 0.00 3.22 3.05 0.00 0.00 7.22 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 61 G 7.39 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 62 F 7.66 5.16 0.00 3.25 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 63 E 8.97 5.21 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 64 A 8.76 4.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.55 5.06 0.00 2.03 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 2.16 2.19 0.00 66 F 9.84 5.55 0.00 2.78 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 67 S 8.39 3.75 0.00 3.72 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.22 4.24 0.00 1.93 1.79 0.00 1.70 0.00 0.00 2.10 0.00 0.00 3.46 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.52 7.81 69 S 7.88 4.16 0.00 3.97 3.94 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 70 N 8.28 4.41 0.00 2.66 2.83 0.00 0.00 7.50 7.18 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 71 S 7.97 3.95 0.00 3.86 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 72 S 7.50 5.07 0.00 3.79 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 F 8.89 6.30 0.00 3.01 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 74 H 8.29 4.90 0.00 3.16 3.18 0.00 5.67 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.61 4.33 0.00 0.27 0.52 0.63 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 76 R 7.88 4.85 0.00 1.73 1.69 0.00 3.02 0.00 0.00 3.02 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.55 0.00 77 K 8.81 4.45 0.00 0.79 1.12 0.00 0.61 0.00 0.00 1.09 0.00 0.00 2.93 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.95 0.98 7.81 78 A 8.18 3.85 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 S 7.56 4.65 0.00 3.80 3.64 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 80 V 8.22 4.29 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 0.43 0.00 0.00 0.93 0.00 0.00 81 H 9.25 4.51 0.00 3.17 3.22 0.00 5.78 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 82 R 8.55 3.82 0.00 1.94 1.97 0.00 3.18 0.00 0.00 3.38 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 83 S 8.28 4.20 0.00 3.94 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 84 D 7.61 4.79 0.00 2.63 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 85 S 8.05 4.54 0.00 3.88 3.91 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 86 A 8.18 4.28 1.11 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 87 V 7.12 4.61 1.69 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 0.31 0.00 0.00 0.85 0.00 0.00 88 Y 8.85 4.77 0.00 3.00 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 89 F 9.49 5.37 0.00 3.00 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 90 C 8.91 4.29 0.00 1.74 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 91 A 8.78 5.93 1.11 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 92 V 7.69 5.22 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 1.18 0.00 0.00 0.67 0.00 0.00 93 S 8.27 4.23 0.00 3.87 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 *99 L 8.36 4.65 0.00 1.25 1.84 0.98 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 100 E 7.68 4.78 0.00 1.96 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.87 0.00 101 R 8.59 3.69 0.00 1.53 1.71 0.00 3.29 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.59 0.00 102 P 0.00 3.84 0.00 2.03 2.18 0.00 3.54 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 1.89 1.98 0.00 103 Y 7.11 4.91 0.00 2.77 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 0.00 104 L 7.35 5.15 0.00 1.21 0.62 0.47 0.16 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 0.00 105 T 7.28 3.69 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 1.09 0.00 0.00 106 F 8.24 4.96 0.00 2.73 2.76 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 0.00 0.00 0.00 107 G 8.25 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.97 4.28 0.00 4.09 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 0.00 109 G 9.45 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 0.00 0.00 0.00 0.00 110 T 7.70 4.48 4.38 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 1.33 0.00 0.00 111 K 9.29 4.60 0.00 1.81 1.75 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.40 7.81 112 V 9.14 5.05 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 1.03 0.00 0.00 0.83 0.00 0.00 113 I 8.39 4.97 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.86 0.93 0.00 0.00 114 V 8.04 5.53 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 0.88 0.00 0.00 1.05 0.00 0.00 115 L 8.11 4.17 0.00 1.59 1.52 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.