NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4847 8.1633 120.3242 55.1421 33.4560 175.4835 2 D 4.3856 8.6616 118.2528 56.7550 40.9435 175.0700 3 K 4.5838 7.3417 113.8936 54.3138 37.3870 175.8035 4 V 3.9344 8.0471 122.2583 61.7289 33.2037 174.4167 5 Y 4.7408 8.3663 126.7414 55.7055 37.3560 174.8056 6 L 4.1882 7.5327 123.0908 54.9507 42.6772 177.0521 7 T 4.3345 8.8770 113.4433 60.5045 70.8590 176.0256 8 W 4.3427 8.8949 121.7954 59.6873 29.0872 178.4774 9 W 4.3255 8.5924 127.7895 60.8531 30.3538 177.8125 10 Q 3.7779 8.7669 118.2879 58.8850 28.0719 179.1829 11 V 3.8691 8.0852 119.2971 66.0649 31.6040 177.8816 12 D 4.3532 8.9181 119.2376 57.5202 40.7205 178.9660 13 R 3.9553 8.2208 118.6881 59.2083 29.8855 179.0326 14 A 3.9219 7.9642 120.3476 55.0530 18.2493 179.7524 15 I 3.6544 8.0107 118.4706 64.4839 37.0719 178.6010 16 F 4.3559 8.3013 118.4362 60.6418 38.7012 177.4970 17 A 4.0117 8.1601 120.2911 55.2735 18.1775 179.7405 18 L 3.9065 8.2424 117.3615 57.6800 41.7142 179.4808 19 A 3.9488 8.3238 121.1287 55.2093 18.1341 179.1354 20 E 3.8902 8.2194 116.6693 59.6045 29.7713 179.0046 21 K 4.1971 7.7002 116.4914 58.7212 32.5202 178.8228 22 L 3.9514 7.7581 119.0619 56.6883 41.2385 179.0823 23 R 3.9375 7.8454 118.6451 59.4304 29.7728 178.4692 24 E 4.0658 8.1418 117.4441 59.3334 29.7409 177.7636 25 Y 4.3433 7.8130 118.9844 58.5369 40.2771 175.3102 26 K 3.6966 7.6053 115.8675 56.2992 29.1894 173.9193 27 P 4.1491 0.0000 0.0000 62.8997 32.5464 176.5591 28 D 4.6632 9.0594 121.7751 55.8904 42.1446 177.3471 29 V 4.6304 7.5556 116.3549 61.1202 35.7154 174.1551 30 I 4.6686 8.4748 127.5143 59.9845 39.6039 174.9958 31 I 4.5973 8.8457 130.4529 59.4972 36.9584 175.1205 32 G 3.8903 8.9594 114.6530 46.0372 0.0000 169.8817 33 V 4.8200 8.3924 123.4550 60.7539 33.4706 174.7948 34 A 4.5489 8.4902 130.2379 51.9352 18.8215 177.4043 35 R 4.3273 8.6803 118.3324 56.4697 31.6166 179.1405 36 G 3.8299 7.6987 106.3243 47.5953 0.0000 174.6623 37 G 3.7876 8.3054 107.4743 45.3500 0.0000 175.3267 38 L 3.8612 7.3127 119.8680 57.9762 41.7469 179.3085 39 I 3.5055 7.0477 118.6388 64.0255 37.0385 176.6299 40 P 4.2236 0.0000 0.0000 65.4896 31.0991 178.5649 41 A 3.9968 8.5329 120.1129 54.8473 17.7165 179.7689 42 V 3.4772 8.0454 117.2390 66.3089 31.6267 178.5886 43 R 3.8803 7.7558 117.1823 59.2541 29.9293 178.9761 44 L 3.9699 8.2504 119.2268 57.7884 41.6906 179.4226 45 S 4.0759 8.2709 113.2369 61.6635 62.2937 175.8982 46 H 4.0866 7.9055 119.8220 59.4599 29.6188 177.1001 47 I 3.7993 7.7971 121.5452 64.5705 37.0859 177.2814 48 L 4.5549 7.9536 118.3273 55.0298 41.5667 176.8770 49 G 3.6059 7.5261 104.0431 48.2222 0.0000 174.1116 50 D 4.3407 7.6107 113.6898 54.7686 39.2837 174.6060 51 I 4.3006 7.3962 111.1408 59.2739 39.5453 175.4299 52 P 4.3070 0.0000 0.0000 63.6990 32.1105 174.2961 53 L 5.1299 8.4634 123.7285 53.4001 43.9588 175.4123 54 K 4.7985 8.9957 125.2436 54.6169 35.7067 175.2228 55 V 4.9994 8.2280 120.9449 61.2652 34.8945 174.4959 56 I 4.9473 8.3985 125.8219 59.3438 41.9274 173.1725 57 D 5.1244 8.9805 127.7766 52.4188 44.2750 174.1029 58 V 4.8376 8.5656 125.2662 61.0412 33.8207 174.5664 59 K 4.7685 9.0421 126.7301 54.5729 36.0614 174.8581 60 F 5.0852 8.7141 121.0061 56.0627 41.1139 174.4697 61 Y 4.6122 8.9729 122.0026 56.0244 40.1796 175.2367 62 K 4.9036 8.2605 124.1784 55.4387 32.9909 178.2946 63 G 3.7871 8.5447 114.4362 45.1930 0.0000 172.2259 64 I 4.0298 8.1248 121.4454 60.5795 36.7424 175.5414 65 D 4.5358 8.4757 126.2015 53.7910 42.3481 177.2544 *68 G 4.0574 8.2094 108.5091 46.2473 0.0000 171.1423 69 E 5.2984 8.7998 121.4581 54.8111 33.6225 175.1282 70 K 4.8689 9.1581 123.8608 53.8844 35.3143 173.6149 71 P 4.2793 0.0000 0.0000 62.1268 32.5661 175.5834 72 V 4.3855 8.5479 122.1467 61.1990 35.4998 174.4394 73 I 4.4549 8.3168 127.9503 60.9884 36.5510 175.7485 74 T 4.1304 8.7309 125.7600 65.7861 69.4201 175.2244 75 I 4.5731 7.5908 121.7321 58.8151 40.5710 173.7948 76 P 4.7694 0.0000 0.0000 62.0669 33.2106 175.4141 77 I 4.3572 7.9744 120.3559 59.8028 38.3352 175.8913 78 H 4.4729 8.7798 122.8092 56.0806 30.1689 177.3437 79 G 3.7997 8.5635 108.6509 45.9276 0.0000 171.2384 80 D 5.0367 8.4560 120.4900 51.8071 42.7196 175.2367 81 L 4.8241 8.8489 115.9321 54.1734 41.7103 176.8863 82 K 4.3814 8.3779 118.6121 57.4666 32.3002 176.7366 83 D 4.3575 8.7915 121.3874 55.2891 39.7359 172.9405 84 K 4.8032 7.3844 113.7352 54.0669 35.6084 175.9196 85 R 4.3623 9.2082 125.4091 55.9563 30.9576 176.0395 86 V 4.9345 9.3153 124.5015 61.1728 34.9745 174.4865 87 V 4.7290 8.3310 123.7987 61.3154 34.6254 174.0895 88 I 4.7501 8.9860 129.6960 60.0870 38.9985 174.7744 89 V 5.2622 8.3122 126.7993 60.5087 33.9538 173.9549 90 D 5.0131 8.4095 125.7085 52.7902 45.0502 175.3957 91 D 4.5433 8.7588 120.7777 56.0034 40.5186 176.6072 92 V 4.7771 7.5722 115.6626 60.3102 34.7364 174.5842 93 S 4.1811 8.5436 118.5174 57.1936 62.2325 173.5463 94 D 4.6572 8.7401 125.2548 54.6008 42.2534 177.8116 95 T 4.3098 7.8998 108.8521 61.7403 70.5185 176.8865 96 G 4.1159 8.2232 108.9714 46.2527 0.0000 174.9568 97 K 3.9276 8.0674 119.8106 59.9236 32.0201 178.9900 98 T 4.1508 7.9541 115.0579 66.9590 68.4644 176.4069 99 L 4.0283 8.0441 120.1686 58.0604 41.5843 179.4016 100 E 4.0569 8.4292 118.4462 59.2049 29.3095 179.6307 101 V 3.6262 7.5555 118.2299 65.9322 31.6560 178.2740 102 V 3.6336 8.0221 118.0969 66.0512 31.2980 178.1194 103 I 3.7502 8.2332 120.1265 64.2494 36.9550 177.9956 104 E 3.9460 8.0649 119.9099 59.0736 29.5319 178.5181 105 E 3.8897 8.1905 119.4189 59.3991 29.6076 178.9367 106 V 3.6409 7.9218 118.2593 66.0518 31.5761 178.1411 107 K 4.0444 8.2924 118.2353 59.1626 31.6540 179.4420 108 K 4.1441 7.9105 117.9901 58.5925 32.2490 178.3057 109 L 4.4625 7.7145 117.6463 53.9916 41.5621 177.2163 110 G 3.9324 7.9726 106.9870 45.9536 0.0000 173.4408 111 A 4.5182 7.4548 120.8646 51.5111 18.2620 178.7979 112 K 4.1291 8.4904 124.7172 59.2275 32.9914 176.8907 113 E 4.8709 8.0696 119.1012 54.8348 33.2002 173.6461 114 I 5.1321 8.4559 125.8479 59.6235 40.6849 174.8513 115 K 4.6696 8.6305 125.6909 55.1256 36.0676 174.5564 116 I 5.0410 9.7718 128.1486 59.5892 39.9822 174.4495 117 A 5.3390 9.2391 128.2133 50.5739 21.9352 174.7092 118 C 5.6524 9.1488 119.2570 56.9796 32.7907 175.5910 119 L 4.2653 8.9203 119.8913 57.5228 42.4300 176.8287 120 A 5.7724 8.4294 118.6427 49.7391 22.8904 174.4326 121 M 4.6556 8.1701 116.4704 54.2806 36.0076 173.2891 122 K 4.4287 8.0948 123.0828 52.8773 34.7472 175.3448 123 P 3.9949 0.0000 0.0000 65.5540 31.2982 177.1281 124 W 4.5933 7.0058 111.3170 56.7080 28.2671 176.1462 125 T 4.4834 7.8479 113.6092 61.8850 66.8737 174.4991 126 S 4.3786 8.7424 120.5363 59.0644 63.7061 173.8418 127 V 4.1700 7.6240 120.2802 60.7194 31.9846 174.0979 128 V 3.7339 8.1506 126.5102 61.2605 31.8307 174.3197 129 P 4.4735 0.0000 0.0000 63.0377 31.7759 176.2882 130 D 4.4590 8.7797 121.3366 56.8731 41.5424 176.5692 131 Y 4.9154 7.8145 115.7358 56.5545 42.2605 173.8290 132 Y 5.8541 8.1313 119.7295 57.8143 40.4326 173.2396 133 V 4.0180 8.7248 116.9706 64.4726 33.6272 175.5916 134 F 4.8493 8.5968 119.7456 56.8408 40.6716 174.6079 135 R 5.0223 8.4204 121.5989 55.2683 32.4686 173.7763 136 T 4.4074 8.2361 119.3729 61.9870 71.1664 173.1889 137 E 4.0288 8.5581 121.4442 55.8591 31.5069 176.8374 138 K 4.2192 7.6869 118.1081 55.5150 32.8272 176.1137 139 W 4.3591 8.6142 130.4250 57.5913 31.4980 174.6040 140 I 4.2757 8.4437 128.6580 59.9062 38.1371 175.3976 141 V 4.1850 7.7134 127.6836 60.9595 32.8331 175.4699 142 F 3.8815 8.7682 127.3715 55.9240 39.4248 175.2171 143 P 3.8129 0.0000 0.0000 65.1074 30.8487 177.9789 144 W 4.6394 6.9685 112.8380 57.7485 28.6789 175.9653 145 E 4.6702 7.5242 118.9655 54.9536 30.4553 175.6017 146 E 4.2728 8.5294 120.1982 56.1021 30.2047 177.1066 147 F 4.4925 8.8812 122.1313 56.4296 38.9973 173.8004 148 P 4.3340 0.0000 0.0000 62.7367 31.7018 176.0277 149 V 4.3826 8.2239 121.4715 61.0010 33.6809 174.5847 150 I 4.4248 8.1961 126.6066 59.6201 38.6661 174.9268 151 E 4.7990 8.4103 123.7887 54.0317 32.8421 176.1609 152 K 4.1741 8.4821 118.5166 56.9334 32.1719 177.3137 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 1 M 8.16 4.48 0.00 2.10 2.28 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 2 D 8.66 4.39 0.00 2.63 2.65 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 0.00 0.00 0.00 3 K 7.34 4.58 0.00 0.79 0.78 0.00 0.69 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.65 0.78 7.81 4 V 8.05 3.93 1.76 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 0.69 0.00 0.00 0.78 0.00 0.00 5 Y 8.37 4.74 0.00 2.61 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.53 4.19 0.00 1.14 1.22 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.88 4.33 4.43 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 1.36 0.00 0.00 8 W 8.89 4.34 0.00 3.58 3.39 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 9 W 8.59 4.33 0.00 3.55 3.40 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 0.00 10 Q 8.77 3.78 0.00 2.28 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.59 0.00 0.00 0.00 0.00 0.00 2.62 2.76 0.00 11 V 8.09 3.87 2.48 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 1.49 0.00 0.00 0.97 0.00 0.00 12 D 8.92 4.35 0.00 2.89 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 13 R 8.22 3.96 0.00 1.23 1.67 0.00 3.39 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.54 0.00 14 A 7.96 3.92 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 15 I 8.01 3.65 1.92 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.86 0.77 0.00 0.00 16 F 8.30 4.36 0.00 3.24 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 17 A 8.16 4.01 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 18 L 8.24 3.91 0.00 1.84 1.67 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.32 3.95 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 0.00 0.00 20 E 8.22 3.89 0.00 1.97 2.17 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 2.33 2.41 0.00 21 K 7.70 4.20 0.00 1.86 2.03 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.66 1.68 7.81 22 L 7.76 3.95 0.00 1.80 1.63 0.79 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.85 3.94 0.00 2.05 2.01 0.00 3.27 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 24 E 8.14 4.07 0.00 2.01 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 0.00 2.35 2.37 0.00 25 Y 7.81 4.34 0.00 2.98 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 26 K 7.61 3.70 0.00 1.85 1.76 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.64 7.81 27 P 0.00 4.15 0.00 2.06 2.09 0.00 3.65 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.46 0.00 28 D 9.06 4.66 0.00 2.67 2.68 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 29 V 7.56 4.63 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 1.07 0.00 0.00 0.93 0.00 0.00 30 I 8.47 4.67 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 1.25 0.60 0.91 0.00 0.00 31 I 8.85 4.60 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 1.17 1.22 0.92 0.00 0.00 32 G 8.96 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 33 V 8.39 4.82 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 1.03 0.00 0.00 1.02 0.00 0.00 34 A 8.49 4.55 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 35 R 8.68 4.33 0.00 1.91 1.97 0.00 3.17 0.00 0.00 3.36 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 36 G 7.70 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 37 G 8.31 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.31 3.86 0.00 1.66 1.60 0.86 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.05 3.51 0.99 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 1.49 0.69 0.95 0.00 0.00 40 P 0.00 4.22 0.00 2.10 2.13 0.00 3.27 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.19 0.00 41 A 8.53 4.00 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 42 V 8.05 3.48 2.19 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 0.98 0.00 0.00 0.89 0.00 0.00 43 R 7.76 3.88 0.00 1.98 1.81 0.00 3.14 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 44 L 8.25 3.97 0.00 1.67 1.70 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.27 4.08 0.00 3.93 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 46 H 7.91 4.09 0.00 3.32 3.25 0.00 5.85 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 47 I 7.80 3.80 1.90 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.39 1.04 0.00 0.00 48 L 7.95 4.55 0.00 1.72 1.68 0.91 0.92 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 49 G 7.53 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 D 7.61 4.34 0.00 2.72 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 51 I 7.40 4.30 2.04 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 1.28 0.53 0.99 0.00 0.00 52 P 0.00 4.31 0.00 2.13 2.24 0.00 3.74 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 2.19 1.98 0.00 53 L 8.46 5.13 0.00 1.62 1.56 0.96 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 54 K 9.00 4.80 0.00 1.68 1.66 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.49 7.81 55 V 8.23 5.00 2.08 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 0.77 0.00 0.00 0.91 0.00 0.00 56 I 8.40 4.95 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 1.11 1.47 0.92 0.00 0.00 57 D 8.98 5.12 0.00 2.77 2.54 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 58 V 8.57 4.84 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 0.63 0.00 0.00 0.90 0.00 0.00 59 K 9.04 4.77 0.00 1.72 1.45 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.13 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.28 1.36 7.81 60 F 8.71 5.09 0.00 2.84 2.98 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 61 Y 8.97 4.61 0.00 2.95 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 62 K 8.26 4.90 0.00 1.69 1.79 0.00 1.80 0.00 0.00 1.21 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.33 7.81 63 G 8.54 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.12 4.03 1.88 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 1.43 0.60 0.92 0.00 0.00 65 D 8.48 4.54 0.00 2.67 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 *68 G 8.21 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 69 E 8.80 5.30 0.00 1.87 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 2.26 2.34 0.00 70 K 9.16 4.87 0.00 1.74 1.69 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.40 7.81 71 P 0.00 4.28 0.00 1.70 1.27 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 72 V 8.55 4.39 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 1.08 0.00 0.00 0.83 0.00 0.00 73 I 8.32 4.45 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.62 0.93 0.00 0.00 74 T 8.73 4.13 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 1.25 0.00 0.00 75 I 7.59 4.57 1.95 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 1.41 0.69 0.96 0.00 0.00 76 P 0.00 4.77 0.00 1.97 2.02 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.93 0.00 77 I 7.97 4.36 1.87 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 1.42 0.64 0.92 0.00 0.00 78 H 8.78 4.47 0.00 3.13 3.23 0.00 5.80 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 8.56 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 0.00 0.00 0.00 80 D 8.46 5.04 0.00 2.89 2.65 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 0.00 0.00 0.00 81 L 8.85 4.82 0.00 1.64 1.64 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.38 4.38 0.00 1.95 1.74 0.00 1.90 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.43 7.81 83 D 8.79 4.36 0.00 2.78 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 84 K 7.38 4.80 0.00 1.79 1.65 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.61 1.52 7.81 85 R 9.21 4.36 0.00 1.46 1.33 0.00 2.79 0.00 0.00 2.96 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.46 0.00 86 V 9.32 4.93 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 1.04 0.00 0.00 1.01 0.00 0.00 87 V 8.33 4.73 2.15 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 1.01 0.00 0.00 1.19 0.00 0.00 88 I 8.99 4.75 1.90 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 1.14 0.65 0.93 0.00 0.00 89 V 8.31 5.26 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 1.28 0.00 0.00 0.93 0.00 0.00 90 D 8.41 5.01 0.00 2.80 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 91 D 8.76 4.54 0.00 1.58 2.92 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 92 V 7.57 4.78 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 0.80 0.00 0.00 1.00 0.00 0.00 93 S 8.54 4.18 0.00 3.84 3.69 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 94 D 8.74 4.66 0.00 2.82 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.90 4.31 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 1.15 0.00 0.00 96 G 8.22 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 97 K 8.07 3.93 0.00 1.71 1.84 0.00 1.31 0.00 0.00 1.33 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.40 7.81 98 T 7.95 4.15 4.33 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 1.31 0.00 0.00 99 L 8.04 4.03 0.00 1.84 1.76 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.43 4.06 0.00 2.23 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 2.36 2.46 0.00 101 V 7.56 3.63 2.26 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 0.95 0.00 0.00 1.05 0.00 0.00 102 V 8.02 3.63 2.24 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 0.99 0.00 0.00 1.02 0.00 0.00 103 I 8.23 3.75 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 0.85 0.93 0.00 0.00 104 E 8.06 3.95 0.00 2.03 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 2.31 2.32 0.00 105 E 8.19 3.89 0.00 2.13 2.08 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 2.29 2.35 0.00 106 V 7.92 3.64 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 1.01 0.00 0.00 0.99 0.00 0.00 107 K 8.29 4.04 0.00 2.03 1.85 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.66 7.81 108 K 7.91 4.14 0.00 1.93 1.87 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.64 7.81 109 L 7.71 4.46 0.00 1.84 1.68 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 110 G 7.97 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 0.00 0.00 0.00 111 A 7.45 4.52 1.30 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 0.00 0.00 0.00 112 K 8.49 4.13 0.00 1.81 1.93 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.40 7.81 113 E 8.07 4.87 0.00 2.12 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 2.57 2.47 0.00 114 I 8.46 5.13 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 1.28 0.85 0.95 0.00 0.00 115 K 8.63 4.67 0.00 1.51 1.37 0.00 1.34 0.00 0.00 1.29 0.00 0.00 2.76 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.60 1.37 7.81 116 I 9.77 5.04 2.00 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 1.19 0.52 0.96 0.00 0.00 117 A 9.24 5.34 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 0.00 118 C 9.15 5.65 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 0.00 119 L 8.92 4.27 0.00 2.23 2.22 1.40 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.43 5.77 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 0.00 121 M 8.17 4.66 0.00 0.90 1.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.13 0.00 122 K 8.09 4.43 0.00 1.50 0.74 0.00 2.31 0.00 0.00 1.55 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.24 1.09 7.81 123 P 0.00 3.99 0.00 1.75 2.01 0.00 2.72 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.89 0.00 124 W 7.01 4.59 0.00 3.30 3.35 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 0.00 125 T 7.85 4.48 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 1.18 0.00 0.00 126 S 8.74 4.38 0.00 4.17 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 0.00 127 V 7.62 4.17 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 0.80 0.00 0.00 1.01 0.00 0.00 128 V 8.15 3.73 2.08 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 0.90 0.00 0.00 0.91 0.00 0.00 129 P 0.00 4.47 0.00 2.35 2.08 0.00 3.51 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.09 0.00 130 D 8.78 4.46 0.00 2.57 2.24 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 0.00 131 Y 7.81 4.92 0.00 2.88 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 0.00 132 Y 8.13 5.85 0.00 2.95 2.89 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 0.00 133 V 8.72 4.02 1.60 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 -0.05 0.00 0.00 0.75 0.00 0.00 134 F 8.60 4.85 0.00 3.10 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 0.00 135 R 8.42 5.02 0.00 1.99 1.86 0.00 3.32 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00 136 T 8.24 4.41 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 1.11 0.00 0.00 137 E 8.56 4.03 0.00 1.89 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 1.47 1.94 0.00 138 K 7.69 4.22 0.00 1.71 1.73 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.37 7.81 139 W 8.61 4.36 0.00 3.40 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 0.00 140 I 8.44 4.28 1.63 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 0.97 0.76 -0.22 0.00 0.00 141 V 7.71 4.18 1.30 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 0.76 0.00 0.00 0.31 0.00 0.00 142 F 8.77 3.88 0.00 2.13 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 0.00 143 P 0.00 3.81 0.00 0.49 0.49 0.00 2.20 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.77 0.00 144 W 6.97 4.64 0.00 3.49 3.57 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 0.00 145 E 7.52 4.67 0.00 2.16 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 2.48 2.29 0.00 146 E 8.53 4.27 0.00 2.07 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 2.40 2.42 0.00 147 F 8.88 4.49 0.00 2.86 3.04 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 0.00 148 P 0.00 4.33 0.00 1.78 1.94 0.00 3.49 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.11 0.00 149 V 8.22 4.38 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 0.84 0.00 0.00 0.96 0.00 0.00 150 I 8.20 4.42 1.85 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 1.37 0.59 0.91 0.00 0.00 151 E 8.41 4.80 0.00 1.92 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 2.20 2.29 0.00 152 K 8.48 4.17 0.00 1.75 1.72 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.