NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.4604 8.1500 121.1065 55.9798 31.0358 176.5103 4 I 3.8576 7.5839 118.9445 62.4943 38.0856 173.7178 5 E 4.2344 8.8296 117.6238 57.8389 30.0318 177.7835 6 D 4.5182 7.7758 119.6616 57.1003 41.5006 178.5499 7 K 4.0443 7.5951 117.4706 59.4524 32.1789 179.0077 8 I 3.9746 7.7424 118.8512 63.0247 37.0112 177.3087 9 E 4.2349 8.4891 120.9650 57.9753 29.5336 178.0733 10 E 4.0039 8.0175 117.5871 59.4851 30.1247 178.7877 11 I 3.6944 7.8573 120.9802 64.0247 36.8838 178.3299 12 L 4.1506 7.6368 118.6592 57.5400 41.3987 179.5545 13 S 4.2311 7.7948 115.4201 61.2969 62.8327 176.3553 14 K 3.9426 8.2936 121.2999 59.8345 31.6634 179.0759 15 I 3.9065 7.5387 118.8253 64.8102 37.0501 177.6804 16 Y 4.0459 7.7443 120.1351 61.0072 38.8277 177.3294 17 H 4.2524 8.6789 119.6554 58.9580 29.9183 176.5196 18 I 4.0360 8.4154 113.3634 62.2434 37.2441 177.3264 19 E 4.1540 7.6755 120.9906 58.8894 29.5622 178.3347 20 N 4.2432 7.6720 116.3322 56.0762 38.4974 177.1393 21 E 3.8673 7.9582 119.4454 59.5368 29.6776 178.9858 22 I 3.5777 7.3167 118.0197 64.6570 36.9844 178.0729 23 A 3.9078 7.3715 119.4210 55.1730 18.7152 179.0725 24 R 3.9630 7.9941 116.9141 59.7435 30.0497 178.6956 25 I 3.6784 8.4080 119.6729 64.5048 36.9534 178.5718 26 K 4.0747 8.0826 120.1215 59.8910 31.9107 179.8712 27 K 4.1685 7.8335 123.9875 59.5653 31.6042 183.5817 28 L 4.2429 7.8230 122.2912 58.3236 41.6371 179.9015 29 I 4.0145 8.0646 118.3726 63.9012 35.3933 178.8628 30 G 4.5456 7.6656 105.6890 46.9481 0.0000 175.3239 31 E 4.1432 9.0450 122.0041 59.2032 29.6941 183.9689 32 A 3.8877 7.6850 122.7240 55.0758 19.9393 179.2364 *51 D 4.6072 8.3236 115.3720 54.4313 43.0243 177.8566 52 G 3.7154 9.2616 106.4141 47.9981 0.0000 175.4062 53 L 3.8020 7.8888 122.6977 57.5593 41.9002 178.8897 54 I 3.6703 7.6123 119.0463 64.3335 37.3117 177.6978 55 E 4.1593 8.6896 120.4943 59.4291 29.7377 179.0106 56 G 3.7223 8.8667 106.4869 47.6495 0.0000 175.1749 57 L 4.0990 8.0102 122.9306 57.9016 41.6283 178.6732 58 R 4.2766 8.3959 115.3654 58.1091 29.5891 177.8742 59 Q 4.3918 7.7945 120.0054 58.0206 29.5931 176.9427 60 L 3.9347 7.8412 121.0899 57.9578 41.6613 178.6830 61 A 3.9409 7.9081 119.7537 54.1255 18.2952 178.9567 62 N 4.3247 7.4399 116.5577 56.4434 39.2545 176.7207 63 E 3.9569 8.0637 119.8049 59.8283 29.6417 179.3885 64 T 3.8349 7.8559 115.4661 67.1905 68.3948 176.5221 65 T 3.9211 7.3416 111.9146 64.8595 67.0719 175.7154 66 Q 4.1670 7.9014 119.7113 58.7541 28.4377 178.0841 67 A 4.1497 8.2879 121.7126 54.8517 18.2670 179.5594 68 L 4.1814 8.1060 117.6657 57.6539 41.8207 179.3288 69 Q 4.1231 7.8081 117.5975 58.4374 28.7383 178.2176 70 L 4.0876 7.9289 119.6100 57.3330 41.6851 179.0607 71 F 3.9833 8.0407 117.2949 59.9836 38.9072 177.6185 72 L 3.9828 7.9191 120.4137 57.9649 41.7090 179.2579 73 R 3.8462 7.9578 117.4575 59.1373 30.0852 178.7115 74 A 3.9397 7.9019 120.3117 55.7252 18.5595 179.7565 75 T 3.9186 8.5877 114.8746 67.0189 68.5110 176.7576 76 T 4.1593 8.0801 111.2548 64.2407 69.0356 176.8351 77 E 4.0517 8.0143 122.0681 59.1617 29.4327 179.1064 78 L 4.1075 8.0136 119.2751 57.6209 41.6827 179.4286 79 R 3.9457 7.9838 118.3502 59.7486 30.0895 178.6358 80 T 3.8472 7.9020 115.3891 66.7617 68.4087 176.2341 81 F 4.2341 8.3779 122.6909 61.5335 39.4638 177.1953 82 S 4.1327 8.4875 113.4326 60.9821 62.8918 176.4446 83 I 3.9078 7.7200 123.7246 64.0031 36.6784 178.1416 84 L 4.0062 7.8622 119.9776 57.3974 41.4870 178.8001 85 N 4.3000 7.6876 116.1614 55.2283 38.4302 176.9417 86 R 4.0971 7.4301 118.8360 58.2911 29.7877 178.1529 87 K 3.9483 7.6797 119.7450 59.2030 32.1495 178.7403 88 A 4.0261 7.7620 121.3035 55.2591 18.2782 179.7558 89 I 3.8189 7.7766 118.0034 64.3084 36.8343 178.4172 90 D 4.4489 8.0928 119.6797 56.9167 41.0196 178.2721 91 F 4.2606 7.9769 120.6241 61.4408 39.3160 177.2267 92 L 4.1362 7.9599 117.0946 57.9034 41.7916 178.2016 93 L 4.8896 7.9623 116.4289 55.0778 41.8364 178.4572 94 Q 3.9740 8.1257 122.6760 59.0931 29.0917 177.2477 95 R 3.9905 7.5206 117.0003 55.6831 29.8391 177.0141 96 W 4.7218 8.0735 111.3628 57.3280 32.9979 175.7155 97 G 3.7709 7.8478 108.1834 44.6615 0.0000 174.9144 98 G 4.0899 8.3753 105.2455 45.2617 0.0000 174.7586 99 T 3.8688 8.6111 109.1415 65.2728 67.9334 176.9339 100 C 4.5826 8.3083 118.3728 58.8455 39.9201 175.1190 101 H 4.2911 8.1235 119.8077 58.8291 29.9376 176.8037 102 I 3.9262 7.7851 119.7573 63.5629 37.1441 177.3178 103 L 4.4405 8.6502 118.5493 55.9042 43.0855 177.1982 104 G 3.8314 7.9489 104.3468 43.9557 0.0000 171.8892 105 P 4.3815 0.0000 0.0000 65.0881 31.4304 177.6060 106 D 4.5661 8.0651 117.2287 55.9371 40.5484 176.5999 107 C 4.4969 7.9427 114.6844 57.7147 41.7440 175.3144 108 R 4.0208 7.8691 120.2436 57.1856 30.1056 177.1049 109 I 3.7970 6.9857 119.6637 61.5165 37.4968 175.0212 110 E 4.7348 8.3572 124.6128 53.5960 32.8112 172.8096 111 P 4.4865 0.0000 0.0000 62.4925 32.0367 176.1843 112 H 4.2191 8.8123 122.5338 55.9209 30.4877 174.4955 113 D 4.6440 7.3650 122.7299 52.8689 40.2106 175.7348 114 W 4.6627 8.4786 124.4162 56.8064 29.1923 177.7686 115 T 3.9462 7.9079 118.2137 66.8099 67.9188 176.1713 116 K 3.9603 8.0079 120.7363 59.4899 32.2949 178.1297 117 N 4.3897 8.3093 116.2677 56.7948 38.6798 177.2388 118 I 3.8115 8.2913 121.1628 64.6364 37.1513 178.7482 119 T 3.9055 8.2003 116.7967 66.8481 68.4642 176.3834 120 D 4.4220 8.7902 121.1072 57.3620 40.9239 178.9286 121 K 4.0470 8.0107 119.7792 59.4740 31.7415 178.9874 122 I 3.8867 7.8414 119.7294 63.9591 36.9769 177.9882 123 D 4.5037 8.0970 120.2245 56.8226 40.6350 178.5244 124 Q 3.9968 7.9430 119.8573 59.4622 29.2270 178.1107 125 I 3.9251 7.6991 120.4759 64.6638 37.0057 178.4137 126 I 3.7746 7.5904 119.5168 64.3747 36.8467 177.4142 127 H 4.1520 8.2207 118.3152 59.9335 29.7674 176.5881 128 D 4.2941 8.4666 119.1761 56.5612 40.7062 177.6437 129 F 4.6317 8.1468 115.8178 58.8893 40.9278 177.4326 130 V 3.8021 8.0229 118.8813 64.9846 31.8774 176.2934 131 D 4.5580 8.2349 123.2105 53.1320 39.6555 178.0399 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 Q 8.15 4.46 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 4 I 7.58 3.86 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.34 0.91 0.00 0.00 5 E 8.83 4.23 0.00 1.96 1.98 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 2.31 2.46 0.00 6 D 7.78 4.52 0.00 2.79 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 7 K 7.60 4.04 0.00 2.01 1.87 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.63 7.81 8 I 7.74 3.97 1.98 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.86 0.91 0.00 0.00 9 E 8.49 4.23 0.00 2.21 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 2.26 2.33 0.00 10 E 8.02 4.00 0.00 2.23 2.18 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 2.52 2.40 0.00 11 I 7.86 3.69 2.05 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.99 0.93 0.00 0.00 12 L 7.64 4.15 0.00 1.98 1.74 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 13 S 7.79 4.23 0.00 3.95 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 14 K 8.29 3.94 0.00 1.87 1.89 0.00 1.60 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.56 7.81 15 I 7.54 3.91 2.03 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 1.43 0.49 0.94 0.00 0.00 16 Y 7.74 4.05 0.00 3.26 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 17 H 8.68 4.25 0.00 3.36 3.46 0.00 5.63 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.42 4.04 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 1.68 0.65 1.09 0.00 0.00 19 E 7.68 4.15 0.00 2.02 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 2.24 2.55 0.00 20 N 7.67 4.24 0.00 2.81 2.75 0.00 0.00 6.91 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 7.96 3.87 0.00 1.91 1.95 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 2.33 2.25 0.00 22 I 7.32 3.58 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.87 0.88 0.00 0.00 23 A 7.37 3.91 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 24 R 7.99 3.96 0.00 1.87 2.16 0.00 3.09 0.00 0.00 3.16 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 25 I 8.41 3.68 2.06 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.34 0.90 0.00 0.00 26 K 8.08 4.07 0.00 1.86 1.87 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.76 7.81 27 K 7.83 4.17 0.00 1.80 1.81 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.35 7.81 28 L 7.82 4.24 0.00 1.68 1.73 0.92 0.94 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 29 I 8.06 4.01 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.62 0.91 0.00 0.00 30 G 7.67 4.55 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 0.00 0.00 0.00 31 E 9.05 4.14 0.00 1.94 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 2.24 2.19 0.00 32 A 7.68 3.89 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 *51 D 8.32 4.61 0.00 2.87 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 52 G 9.26 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 0.00 0.00 0.00 53 L 7.89 3.80 0.00 1.73 1.69 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.61 3.67 2.14 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.65 0.92 0.00 0.00 55 E 8.69 4.16 0.00 2.23 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 2.31 2.39 0.00 56 G 8.87 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 0.00 0.00 0.00 57 L 8.01 4.10 0.00 2.12 1.94 0.99 1.08 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 58 R 8.40 4.28 0.00 2.33 2.28 0.00 2.85 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 59 Q 7.79 4.39 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 60 L 7.84 3.93 0.00 1.94 1.59 0.86 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 61 A 7.91 3.94 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 62 N 7.44 4.32 0.00 3.18 2.93 0.00 0.00 7.01 7.53 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 63 E 8.06 3.96 0.00 2.03 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 2.58 2.51 0.00 64 T 7.86 3.83 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 1.15 0.00 0.00 65 T 7.34 3.92 4.54 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 1.30 0.00 0.00 66 Q 7.90 4.17 0.00 2.37 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 67 A 8.29 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.11 4.18 0.00 1.90 1.75 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 7.81 4.12 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.65 0.00 70 L 7.93 4.09 0.00 1.77 1.56 0.89 1.11 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 71 F 8.04 3.98 0.00 3.12 3.11 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 72 L 7.92 3.98 0.00 1.88 1.90 1.00 0.97 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 73 R 7.96 3.85 0.00 2.14 1.93 0.00 3.17 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 74 A 7.90 3.94 1.23 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 0.00 0.00 0.00 75 T 8.59 3.92 4.57 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 1.31 0.00 0.00 76 T 8.08 4.16 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 1.30 0.00 0.00 77 E 8.01 4.05 0.00 2.11 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 2.32 2.54 0.00 78 L 8.01 4.11 0.00 1.93 1.79 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 79 R 7.98 3.95 0.00 2.12 1.99 0.00 3.17 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 80 T 7.90 3.85 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 81 F 8.38 4.23 0.00 3.18 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 82 S 8.49 4.13 0.00 4.12 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 83 I 7.72 3.91 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.86 0.91 0.00 0.00 84 L 7.86 4.01 0.00 1.92 1.57 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 85 N 7.69 4.30 0.00 2.74 2.73 0.00 0.00 6.50 7.51 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 86 R 7.43 4.10 0.00 1.97 2.06 0.00 3.16 0.00 0.00 3.10 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 87 K 7.68 3.95 0.00 1.98 1.92 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.46 7.81 88 A 7.76 4.03 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 89 I 7.78 3.82 1.94 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.48 0.92 0.00 0.00 90 D 8.09 4.45 0.00 2.97 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 91 F 7.98 4.26 0.00 3.17 3.28 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 92 L 7.96 4.14 0.00 1.83 1.91 1.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.96 4.89 0.00 1.82 1.81 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 8.13 3.97 0.00 2.19 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 7.19 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 95 R 7.52 3.99 0.00 1.40 1.22 0.00 2.91 0.00 0.00 2.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.11 0.00 96 W 8.07 4.72 0.00 3.66 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 97 G 7.85 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 98 G 8.38 4.09 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 0.00 0.00 0.00 99 T 8.61 3.87 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 1.28 0.00 0.00 100 C 8.31 4.58 0.00 3.02 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 0.00 101 H 8.12 4.29 0.00 3.28 3.51 0.00 5.75 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.79 3.93 1.85 0.00 0.00 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 1.81 0.78 0.81 0.00 0.00 103 L 8.65 4.44 0.00 1.56 1.71 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 104 G 7.95 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.38 0.00 2.17 2.12 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 106 D 8.07 4.57 0.00 2.69 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 0.00 107 C 7.94 4.50 0.00 3.17 3.28 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 0.00 108 R 7.87 4.02 0.00 2.01 2.03 0.00 3.18 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 109 I 6.99 3.80 2.03 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 1.21 0.48 0.94 0.00 0.00 110 E 8.36 4.73 0.00 1.87 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 2.20 2.32 0.00 111 P 0.00 4.49 0.00 2.16 2.07 0.00 3.76 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 2.07 2.12 0.00 112 H 8.81 4.22 0.00 3.02 3.10 0.00 5.70 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.36 4.64 0.00 2.52 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 0.00 0.00 0.00 0.00 114 W 8.48 4.66 0.00 3.51 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 0.00 115 T 7.91 3.95 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 1.26 0.00 0.00 116 K 8.01 3.96 0.00 1.83 1.82 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.63 1.66 7.81 117 N 8.31 4.39 0.00 3.33 3.11 0.00 0.00 7.11 6.91 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 0.00 118 I 8.29 3.81 2.04 0.00 0.00 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 1.56 1.29 0.96 0.00 0.00 119 T 8.20 3.91 4.59 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 1.24 0.00 0.00 120 D 8.79 4.42 0.00 2.82 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 0.00 121 K 8.01 4.05 0.00 1.88 1.82 0.00 1.63 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.53 7.81 122 I 7.84 3.89 2.01 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 1.54 1.23 0.94 0.00 0.00 123 D 8.10 4.50 0.00 3.00 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 0.00 124 Q 7.94 4.00 0.00 2.39 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.74 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 125 I 7.70 3.93 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.76 0.78 0.00 0.00 126 I 7.59 3.77 2.05 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 1.45 0.61 0.96 0.00 0.00 127 H 8.22 4.15 0.00 3.14 3.63 0.00 5.78 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 8.47 4.29 0.00 3.00 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 0.00 129 F 8.15 4.63 0.00 3.06 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 0.00 130 V 8.02 3.80 2.13 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 0.81 0.00 0.00 0.97 0.00 0.00 131 D 8.23 4.56 0.00 2.72 2.47 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 * Residues marked with a * may have inaccurate shift predictions.