NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.2369 8.1076 123.5792 52.7578 20.2338 176.4134 1 K 3.6859 9.1017 114.8927 59.0451 31.4999 172.8293 2 N 4.2489 8.1373 111.9577 55.2485 37.2646 176.4598 3 R 4.1928 7.8571 114.3212 55.3819 30.2802 175.7908 4 L 4.0039 8.4117 118.8197 57.0340 41.8909 178.0607 5 G 3.9515 9.2183 111.3187 45.6483 0.0000 172.7598 6 T 4.7155 7.5615 109.5549 59.0659 72.4192 173.1383 7 K 4.6234 8.5173 123.6530 55.8547 32.6765 176.4985 8 A 4.2443 8.7837 129.8685 51.9718 19.2309 177.1973 9 L 4.0941 7.5102 120.7827 54.5505 42.2666 177.2124 10 N 4.2539 8.2087 121.8338 53.7079 39.9519 173.4303 11 F 4.8123 7.4223 115.3311 56.3710 41.2227 172.5211 12 T 4.9054 8.5491 116.9991 62.3936 69.7370 173.8822 13 Y 4.9883 8.3958 124.6919 55.5096 41.4396 174.5768 14 T 4.8943 8.2141 117.3143 61.7533 71.6393 174.3955 15 L 4.8556 8.9132 126.5701 53.5259 43.0078 177.2682 16 D 4.7458 9.2272 119.7286 57.7874 41.0251 177.7282 17 S 4.2865 8.1358 111.5120 59.4358 63.3454 174.9628 18 G 3.9993 8.3248 110.2017 44.9655 0.0000 174.1510 19 V 3.6803 7.5911 119.9897 62.9635 32.1100 174.5052 20 K 4.8513 8.3169 125.5086 54.9812 34.2330 175.5099 21 G 3.9088 7.8104 109.8098 45.3164 0.0000 171.3139 22 T 4.8314 7.8461 109.9258 59.1919 71.4412 174.2859 23 L 3.9312 7.9177 124.4001 58.5683 42.0582 179.2274 24 Y 4.4566 8.0015 114.4943 60.7790 37.8395 176.8977 25 Q 4.1985 7.9190 116.7103 56.5071 29.1825 175.5611 26 F 4.5369 8.1452 121.9693 56.5234 39.3700 172.8320 27 P 4.4917 0.0000 0.0000 61.7949 32.5130 175.3022 28 A 4.3494 7.9537 121.8457 50.8539 21.8227 176.1933 29 E 3.9427 9.1771 123.4771 58.9051 30.5917 176.8595 30 Y 5.0223 8.6247 116.6477 56.4443 42.0094 174.7098 31 T 5.1554 9.0490 120.8992 61.9597 71.2010 173.4451 32 L 4.8176 8.9373 129.7094 53.4736 43.1530 174.5852 33 L 4.6024 8.9019 130.2224 54.3895 43.4676 175.1413 34 F 5.3585 9.2787 129.9815 56.5982 41.2656 173.3669 35 I 4.5810 8.9199 128.3524 60.3545 38.1412 174.9912 36 N 5.2881 8.9212 123.7609 51.2469 41.3469 173.5931 37 N 5.3400 8.6785 117.5573 51.6979 40.4290 172.2390 38 P 4.5447 0.0000 0.0000 63.1774 31.7263 178.6262 39 G 3.9230 7.9678 109.8913 44.3615 0.0000 173.8663 40 C 4.6331 7.4241 112.2194 56.0728 33.6371 173.3350 41 H 4.2234 8.6241 119.1358 59.0619 28.2136 177.9502 42 A 4.0641 7.9925 121.0875 55.2100 18.3091 178.7952 43 C 4.3670 8.0628 115.6789 62.6209 32.1012 175.0736 44 A 4.2072 7.9664 122.3063 55.0601 17.9914 179.9301 45 E 4.3486 8.2422 117.0720 56.5684 29.8004 179.5751 *47 I 4.4084 7.7444 120.4110 61.7173 39.4874 178.2126 48 E 4.1407 8.4258 119.8091 59.3194 29.1818 179.7037 49 G 3.6131 8.5441 106.2147 47.8341 0.0000 175.7800 50 L 4.0415 7.8312 119.9674 57.4957 41.7758 179.2970 51 K 4.3070 8.3672 117.3744 59.2488 32.0585 178.7328 52 A 4.3985 7.8125 119.7775 52.6992 19.0429 177.6073 53 S 4.1259 7.6235 113.1069 57.8532 63.0799 172.8446 54 P 4.2766 0.0000 0.0000 65.7424 31.2866 178.7574 55 V 3.6944 7.7465 116.3342 66.1977 31.4843 177.9716 56 I 3.7644 7.8182 119.5222 64.5033 36.8797 178.1277 57 N 4.6221 8.0151 118.9191 55.6562 38.3837 177.7037 58 G 3.6223 8.3618 107.1294 47.9448 0.0000 175.8876 59 F 4.0023 8.4207 120.3458 60.1841 38.4641 178.0150 60 T 4.2881 8.8251 111.1520 64.4129 68.4527 176.6302 61 A 4.0580 8.1875 122.6294 54.4101 18.4914 178.5709 62 A 4.1961 7.7558 116.3939 51.9365 18.7338 177.9760 63 K 3.9955 7.7696 115.6385 57.0937 30.4154 177.0766 64 K 4.4083 8.2013 121.3301 58.0741 33.2654 176.6714 65 L 5.4911 8.1441 121.1928 53.1542 45.0938 175.3940 66 K 4.8715 9.0518 124.4190 54.6274 36.1293 175.1954 67 V 4.3203 8.4943 123.9913 61.8438 33.2237 174.1459 68 L 4.8161 8.7822 130.8107 53.2654 43.9114 174.8592 69 S 4.9905 8.8789 122.7538 57.2168 65.2630 173.0984 70 I 4.7989 8.3999 123.1166 59.3424 41.2591 172.9465 71 Y 5.2555 8.8657 131.1038 54.9866 39.7920 173.8813 72 P 4.4150 0.0000 0.0000 62.5167 32.3208 174.5831 73 D 4.6668 6.0500 119.0837 53.1034 43.1551 175.1499 74 E 4.3528 8.4518 117.1731 57.9313 30.6782 177.6138 75 E 4.4603 8.5564 122.1168 54.7002 26.3800 176.2449 76 L 3.8760 7.7297 124.2488 58.2420 42.6739 177.6584 77 D 4.4218 8.0786 118.3161 57.3128 40.7017 178.3162 78 E 3.8951 8.1101 119.3460 58.8681 29.7542 178.1684 79 W 3.9556 8.2306 128.7305 60.6731 30.4134 178.0925 80 K 3.7767 8.4967 117.2001 59.1352 31.4727 178.9376 81 K 3.9883 7.9579 119.5617 59.2661 32.3832 177.7097 82 H 4.5088 8.0541 114.5370 55.5906 28.4876 177.2418 83 R 3.6187 7.3049 118.8353 58.9970 29.2646 178.0225 84 N 4.6110 7.8295 113.0275 53.9850 38.7935 175.6264 85 D 4.3081 7.9231 119.4133 56.8093 41.0936 177.2306 86 F 4.2213 7.3268 116.0866 56.3599 39.8424 175.2363 87 A 3.6365 6.2549 126.4666 51.6828 18.5253 179.1071 88 K 4.0159 8.3653 121.1846 59.8258 32.8537 178.4344 89 E 4.1441 7.9517 118.1137 58.7862 29.6469 177.2578 90 W 4.8004 7.7941 117.7233 57.0388 30.4089 176.2991 91 T 4.5408 9.1095 119.1614 62.5633 69.4840 173.9626 92 N 5.7048 8.4527 124.8652 50.7614 40.6121 174.1384 93 G 4.4102 9.1338 111.1231 44.3468 0.0000 169.6686 94 Y 4.9900 8.0583 117.3247 54.9952 41.8521 174.6847 95 D 4.6246 8.6024 121.1759 52.5174 40.2814 176.6151 96 K 4.0647 8.4212 125.2428 59.2302 32.4018 177.6191 97 E 4.2201 8.0888 114.1385 55.9681 29.9588 176.0326 98 L 3.5799 7.8618 118.7103 55.8192 40.0034 177.3576 99 V 3.5469 8.1038 118.9024 66.0971 31.6178 176.4620 100 I 3.6895 8.3744 120.0000 64.3436 36.9662 178.6161 101 K 3.9106 7.7860 118.5034 59.7622 31.8642 179.2326 102 N 4.3619 8.2717 115.3793 55.6161 38.5873 176.2325 103 K 4.2507 8.3507 115.4176 55.1837 32.8065 175.6547 104 N 4.1808 7.6877 116.7408 54.6649 37.6262 174.8159 105 L 4.1329 8.2070 118.3843 57.1325 42.5082 177.8788 106 Y 4.5559 7.4868 113.7199 55.6302 41.6952 174.2547 107 D 4.4690 8.8868 122.9432 54.5473 41.1638 175.8512 108 L 4.6421 8.4112 125.2791 54.5659 42.4918 178.5324 109 R 3.9521 8.4159 119.1753 58.4541 30.0309 177.3178 110 A 4.7824 7.6684 119.2534 51.2357 19.6328 176.0723 111 I 3.9658 7.5367 118.9209 62.1722 37.7270 174.5124 112 P 4.9749 0.0000 0.0000 63.2512 32.0260 175.6957 113 T 4.8094 8.9567 117.6584 62.0242 73.3224 172.6360 114 L 5.1948 8.4978 124.3296 53.2779 44.7829 174.8402 115 Y 5.0461 9.1197 120.4133 56.0552 41.6592 174.1577 116 L 5.0198 8.6402 125.7744 53.4710 44.1651 174.9993 117 L 5.4376 9.0207 126.4323 53.0416 45.5298 176.8822 118 D 5.1022 8.7406 122.3311 52.0385 41.4248 176.9475 119 K 4.3645 8.3020 116.5690 59.5136 32.4333 177.2236 120 N 4.5104 8.2005 114.0970 52.6102 38.8839 175.2437 121 K 4.0212 8.3747 117.5252 57.2858 30.2291 175.8017 122 T 4.3210 8.0093 116.6647 63.3191 68.9656 173.9688 123 V 4.0019 8.7996 126.8769 63.2757 31.7956 176.3488 124 L 4.2369 9.0100 129.3679 56.5994 42.8682 177.7404 125 L 4.6137 7.5044 117.6674 52.7659 45.9572 175.5084 126 K 4.0602 8.6723 124.7320 55.7247 33.9636 175.6109 127 D 3.9601 6.9284 125.9574 54.9245 39.4028 172.7682 128 A 4.4108 7.5062 121.2799 51.1355 20.7442 178.5360 129 T 4.0970 8.0166 111.4070 61.1233 70.9905 175.4663 130 L 3.8459 8.3551 123.4786 58.4949 41.9954 179.2694 131 Q 4.5223 7.9315 118.3091 58.6408 28.5120 178.3021 132 K 3.9079 8.0694 121.7368 59.1644 32.2009 178.9609 133 V 3.4991 7.7503 118.6213 65.9956 31.5296 177.8682 134 E 3.8711 8.2882 118.3766 59.4003 29.0859 179.0864 135 Q 3.9481 8.0625 118.5881 59.2764 29.1079 177.3884 136 Y 4.1868 8.1302 120.4879 60.8902 38.6589 178.2183 137 L 3.7545 7.8891 118.1851 57.2388 41.7011 178.7128 138 A 4.2762 7.9247 118.9523 53.4490 18.5393 177.7153 139 E 4.1576 7.5633 121.5784 56.7471 29.7388 176.6601 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 0 A 8.11 4.24 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 1 K 9.10 3.69 0.00 2.00 1.89 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.31 1.52 7.81 2 N 8.14 4.25 0.00 2.95 2.99 0.00 0.00 7.20 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 3 R 7.86 4.19 0.00 2.03 2.15 0.00 2.81 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 4 L 8.41 4.00 0.00 1.67 1.71 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 5 G 9.22 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 6 T 7.56 4.72 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 1.22 0.00 0.00 7 K 8.52 4.62 0.00 1.75 1.77 0.00 1.59 0.00 0.00 1.52 0.00 0.00 2.13 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.35 1.29 7.81 8 A 8.78 4.24 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 7.51 4.09 0.00 1.48 1.59 0.88 0.82 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 10 N 8.21 4.25 0.00 1.44 2.17 0.00 0.00 6.92 7.02 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 11 F 7.42 4.81 0.00 3.11 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 12 T 8.55 4.91 4.17 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 1.07 0.00 0.00 13 Y 8.40 4.99 0.00 2.94 3.16 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 14 T 8.21 4.89 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 0.98 0.00 0.00 15 L 8.91 4.86 0.00 1.81 1.77 1.09 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 16 D 9.23 4.75 0.00 2.91 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 17 S 8.14 4.29 0.00 4.08 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 18 G 8.32 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.59 3.68 2.14 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 1.03 0.00 0.00 0.97 0.00 0.00 20 K 8.32 4.85 0.00 1.52 1.48 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.27 7.81 21 G 7.81 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 0.00 0.00 0.00 22 T 7.85 4.83 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 1.08 0.00 0.00 23 L 7.92 3.93 0.00 0.68 1.41 0.89 1.03 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 24 Y 8.00 4.46 0.00 2.87 2.93 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 25 Q 7.92 4.20 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.88 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 26 F 8.15 4.54 0.00 3.17 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 P 0.00 4.49 0.00 2.11 1.97 0.00 3.45 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.85 0.00 28 A 7.95 4.35 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 29 E 9.18 3.94 0.00 2.00 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 1.73 2.18 0.00 30 Y 8.62 5.02 0.00 2.98 2.83 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 31 T 9.05 5.16 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 32 L 8.94 4.82 0.00 1.72 1.50 0.91 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.90 4.60 0.00 1.85 1.76 0.94 0.65 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 34 F 9.28 5.36 0.00 2.83 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 35 I 8.92 4.58 1.88 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 0.96 0.34 0.82 0.00 0.00 36 N 8.92 5.29 0.00 2.61 1.94 0.00 0.00 5.91 6.48 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 37 N 8.68 5.34 0.00 2.77 2.83 0.00 0.00 7.07 7.69 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 38 P 0.00 4.54 0.00 1.87 1.99 0.00 3.70 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 2.09 2.42 0.00 39 G 7.97 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 40 C 7.42 4.63 0.00 3.12 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 41 H 8.62 4.22 0.00 3.22 3.38 0.00 5.62 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 42 A 7.99 4.06 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 43 C 8.06 4.37 0.00 3.08 3.21 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 44 A 7.97 4.21 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.24 4.35 0.00 2.04 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 2.57 2.51 0.00 *47 I 7.74 4.41 2.09 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.36 1.05 0.00 0.00 48 E 8.43 4.14 0.00 2.23 2.02 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 2.34 2.48 0.00 49 G 8.54 3.61 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 0.00 0.00 0.00 50 L 7.83 4.04 0.00 1.95 1.76 -0.03 0.58 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 51 K 8.37 4.31 0.00 1.98 1.91 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.70 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.78 7.81 52 A 7.81 4.40 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.62 4.13 0.00 3.98 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 0.00 54 P 0.00 4.28 0.00 2.22 2.11 0.00 3.67 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 55 V 7.75 3.69 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 1.11 0.00 0.00 0.97 0.00 0.00 56 I 7.82 3.76 1.89 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 1.42 0.49 0.93 0.00 0.00 57 N 8.02 4.62 0.00 3.11 2.94 0.00 0.00 6.48 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 58 G 8.36 3.62 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 0.00 0.00 0.00 59 F 8.42 4.00 0.00 3.26 3.12 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 60 T 8.83 4.29 4.41 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 1.43 0.00 0.00 61 A 8.19 4.06 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.76 4.20 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 63 K 7.77 4.00 0.00 1.98 2.00 0.00 1.75 0.00 0.00 1.93 0.00 0.00 3.13 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.56 7.81 64 K 8.20 4.41 0.00 2.10 2.34 0.00 1.48 0.00 0.00 1.25 0.00 0.00 2.57 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.64 1.57 7.81 65 L 8.14 5.49 0.00 1.90 1.66 0.77 0.53 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 66 K 9.05 4.87 0.00 1.91 1.92 0.00 1.63 0.00 0.00 1.42 0.00 0.00 2.63 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.40 7.81 67 V 8.49 4.32 1.51 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 0.47 0.00 0.00 0.44 0.00 0.00 68 L 8.78 4.82 0.00 0.80 1.15 -0.10 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.88 4.99 0.00 3.65 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 70 I 8.40 4.80 1.65 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.93 0.47 0.00 0.00 71 Y 8.87 5.26 0.00 2.91 2.36 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 72 P 0.00 4.41 0.00 1.97 1.84 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 73 D 6.05 4.67 0.00 2.08 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 0.00 0.00 0.00 0.00 74 E 8.45 4.35 0.00 1.94 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 2.23 2.33 0.00 75 E 8.56 4.46 0.00 2.15 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 2.40 2.53 0.00 76 L 7.73 3.88 0.00 1.58 1.58 -0.30 0.93 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 77 D 8.08 4.42 0.00 2.74 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 78 E 8.11 3.90 0.00 2.06 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 0.00 2.45 2.41 0.00 79 W 8.23 3.96 0.00 2.49 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 80 K 8.50 3.78 0.00 1.95 1.87 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.78 1.88 7.81 81 K 7.96 3.99 0.00 1.67 1.91 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.16 1.33 7.81 82 H 8.05 4.51 0.00 3.11 3.15 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 R 7.30 3.62 0.00 1.20 1.14 0.00 2.53 0.00 0.00 2.92 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.38 0.00 84 N 7.83 4.61 0.00 2.62 2.82 0.00 0.00 6.93 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 85 D 7.92 4.31 0.00 2.26 2.43 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 86 F 7.33 4.22 0.00 3.20 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 87 A 6.25 3.64 -0.12 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 88 K 8.37 4.02 0.00 1.86 1.91 0.00 1.57 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.45 7.81 89 E 7.95 4.14 0.00 2.04 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 0.00 2.37 2.44 0.00 90 W 7.79 4.80 0.00 3.61 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 91 T 9.11 4.54 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 1.15 0.00 0.00 92 N 8.45 5.70 0.00 2.66 2.60 0.00 0.00 6.99 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 93 G 9.13 4.41 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 94 Y 8.06 4.99 0.00 2.75 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 0.00 0.00 0.00 95 D 8.60 4.62 0.00 2.55 2.44 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 96 K 8.42 4.06 0.00 1.65 1.78 0.00 1.92 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.65 7.81 97 E 8.09 4.22 0.00 1.95 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 2.26 2.36 0.00 98 L 7.86 3.58 0.00 1.84 1.66 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.10 3.55 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 1.15 0.00 0.00 0.91 0.00 0.00 100 I 8.37 3.69 1.75 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.37 0.85 0.00 0.00 101 K 7.79 3.91 0.00 1.89 1.80 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.51 7.81 102 N 8.27 4.36 0.00 2.72 2.86 0.00 0.00 7.08 8.03 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 0.00 103 K 8.35 4.25 0.00 1.81 1.81 0.00 1.84 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.34 7.81 104 N 7.69 4.18 0.00 2.79 2.79 0.00 0.00 7.14 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 0.00 105 L 8.21 4.13 0.00 1.79 1.69 1.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 7.49 4.56 0.00 2.75 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 0.00 107 D 8.89 4.47 0.00 2.68 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 0.00 108 L 8.41 4.64 0.00 1.72 1.63 0.84 0.92 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 0.00 109 R 8.42 3.95 0.00 1.92 2.01 0.00 3.12 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 1.68 1.68 0.00 110 A 7.67 4.78 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 0.00 111 I 7.54 3.97 1.90 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 0.98 1.09 1.04 0.00 0.00 112 P 0.00 4.97 0.00 2.36 2.32 0.00 3.78 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 2.08 2.13 0.00 113 T 8.96 4.81 4.39 0.00 0.00 0.00 0.00 0.00 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 0.00 114 L 8.50 5.19 0.00 1.66 1.47 0.75 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 115 Y 9.12 5.05 0.00 2.88 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 0.00 116 L 8.64 5.02 0.00 1.64 1.32 0.95 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 117 L 9.02 5.44 0.00 1.68 1.58 1.04 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 118 D 8.74 5.10 0.00 2.79 2.83 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 0.00 119 K 8.30 4.36 0.00 1.83 1.89 0.00 1.12 0.00 0.00 2.61 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.37 7.81 120 N 8.20 4.51 0.00 2.78 2.79 0.00 0.00 6.99 7.61 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 0.00 121 K 8.37 4.02 0.00 1.84 2.03 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.34 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.30 1.65 7.81 122 T 8.01 4.32 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 1.26 0.00 0.00 123 V 8.80 4.00 2.33 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 1.20 0.00 0.00 1.16 0.00 0.00 124 L 9.01 4.24 0.00 1.44 1.31 1.14 0.88 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 0.00 125 L 7.50 4.61 0.00 1.33 1.32 0.68 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 126 K 8.67 4.06 0.00 1.73 1.63 0.00 2.22 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.18 1.25 7.81 127 D 6.93 3.96 0.00 2.52 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 0.00 0.00 0.00 0.00 128 A 7.51 4.41 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 0.00 0.00 0.00 0.00 0.00 129 T 8.02 4.10 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 1.18 0.00 0.00 130 L 8.36 3.85 0.00 1.67 1.65 0.80 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 7.93 4.52 0.00 2.30 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.25 0.00 132 K 8.07 3.91 0.00 1.88 1.97 0.00 1.55 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.46 7.81 133 V 7.75 3.50 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 0.82 0.00 0.00 0.87 0.00 0.00 134 E 8.29 3.87 0.00 2.18 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 2.29 2.45 0.00 135 Q 8.06 3.95 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 136 Y 8.13 4.19 0.00 3.19 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 0.00 137 L 7.89 3.75 0.00 1.29 0.62 0.32 -0.31 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 0.00 138 A 7.92 4.28 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 0.00 139 E 7.56 4.16 0.00 1.85 1.78 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 2.26 2.53 0.00 * Residues marked with a * may have inaccurate shift predictions.