NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 I 4.2528 8.0249 114.2472 60.4787 39.7355 176.3975 6 E 4.4894 7.7361 117.1049 52.5084 32.4956 174.7967 7 D 5.0149 8.6868 120.3416 53.1833 40.8016 177.4925 8 H 4.4666 7.9305 118.8627 59.0493 28.9180 177.2955 9 I 3.8302 7.7741 121.1008 64.5082 36.9115 178.3882 10 S 4.1196 7.9206 115.5750 61.5876 62.6440 176.3205 11 F 4.1472 8.5475 123.5999 61.4614 39.0202 176.6593 12 L 3.6890 8.7725 120.5801 58.3230 41.7084 178.8809 13 E 3.9008 8.2366 118.2809 59.3911 29.4765 179.3171 14 K 3.8616 8.4750 119.9791 59.2859 32.2041 178.6613 15 F 3.8918 8.4669 122.0887 61.2073 39.2724 177.3021 16 I 3.5954 7.9651 119.6859 64.2247 36.8742 178.2015 17 N 4.3090 8.3178 117.7165 56.1285 38.2381 177.3045 18 D 4.1994 7.9645 120.3407 57.4005 40.9677 178.8367 19 V 3.3635 7.3060 118.6240 66.0087 31.3057 177.8368 20 N 4.2570 7.9331 116.0482 56.6414 38.2686 177.5684 21 T 3.8815 7.6542 116.6855 66.4046 68.4633 176.6020 22 L 3.9360 8.0907 122.5199 58.2973 42.0593 179.2020 23 T 3.8001 8.0391 115.5425 66.4442 68.1721 176.1774 24 A 3.9783 8.0292 121.8194 55.3777 18.7396 179.4316 25 K 4.0302 7.7545 116.3199 59.8265 32.0265 179.7297 26 L 4.0723 7.8936 117.4755 56.9620 41.7717 178.5808 27 L 4.5335 7.8939 117.0127 54.2289 41.7227 177.8943 28 K 3.7965 7.7420 121.5388 60.0459 31.9813 178.2673 29 D 4.3756 8.0249 117.9909 57.3183 41.0485 178.1757 30 L 4.1001 8.0848 120.2539 58.7531 41.8534 178.9939 31 Q 4.1538 8.2470 117.5272 59.2161 28.5683 179.1344 32 T 3.9343 7.7420 117.0505 66.6229 68.3566 176.4844 33 E 4.0178 8.5750 120.2882 58.9217 29.6798 177.5306 34 Y 4.2190 7.9552 114.2586 57.1378 38.6438 176.7432 35 G 3.9165 7.8968 107.5107 45.4136 0.0000 173.5616 36 I 3.9713 7.2849 120.0515 60.2030 38.8588 176.1687 37 S 4.5990 8.1909 121.4610 57.0936 66.1551 175.1899 38 A 3.9869 8.3102 122.8226 55.0017 18.2264 179.0521 39 E 3.8813 8.2639 115.8156 60.2078 29.3342 179.4529 40 Q 4.0092 8.3909 119.9325 58.0730 28.7870 178.5537 41 S 4.0034 8.1399 114.2418 61.9654 62.3104 175.8835 42 H 4.2775 8.2017 120.4349 59.2765 29.5357 177.3495 43 V 3.5097 7.3509 119.2238 65.9421 31.1095 178.0597 44 L 4.0247 7.6811 117.9105 57.7310 41.2828 178.6440 45 N 4.5228 8.4096 116.9411 56.4265 38.7595 176.7492 46 M 4.0728 8.2060 120.1049 58.1110 32.1278 177.4716 47 L 5.0772 7.7062 118.2932 55.4613 42.1730 178.4711 48 S 4.2408 7.4687 112.7159 61.0226 62.3329 175.7454 49 I 4.0420 7.5759 121.3990 62.7253 37.6579 175.3739 50 E 4.6027 7.6115 116.9236 54.5844 33.6162 174.0364 51 A 4.8735 8.4325 121.7728 50.8222 19.9081 176.3170 52 L 4.8386 8.2202 121.2343 53.8139 45.6338 176.6017 53 T 4.6855 8.2062 116.9209 62.7496 70.0772 176.3212 54 V 3.6417 8.5850 122.8818 65.9858 31.2974 178.8656 55 G 3.5221 7.9679 105.1338 47.8110 0.0000 175.2716 56 Q 4.0160 8.1373 120.7848 58.9422 28.5307 179.3950 57 I 3.6762 7.6975 119.0346 64.7731 37.3973 178.3750 58 T 4.0039 7.9506 116.5791 66.4672 68.2006 176.3238 59 E 4.0653 8.5409 121.5419 58.5907 29.5441 177.7910 60 K 4.3707 8.0049 116.4272 57.2857 32.3658 176.6489 61 Q 4.3346 7.8418 116.8295 54.7768 30.9057 176.5480 62 G 4.0154 8.1372 104.1567 46.0148 0.0000 174.0739 63 V 4.0171 7.0229 111.6840 59.6418 32.9715 175.3931 64 N 4.3345 8.4687 119.5240 53.6333 39.4335 175.0054 65 K 3.7887 9.0791 126.2994 59.8264 32.0450 178.1752 66 A 3.9563 8.1406 119.9953 55.4181 18.2121 179.2361 67 A 3.9085 7.8046 118.4894 55.4641 18.4958 180.1055 68 V 3.6114 7.7240 116.1429 65.8463 31.6243 178.3940 69 S 4.0566 8.1554 115.2936 61.5798 62.3584 176.4220 70 R 3.8773 8.1732 121.5648 59.7190 29.9072 178.7283 71 R 4.0650 7.8998 117.1687 58.8554 30.0818 179.1415 72 V 3.6510 7.7763 118.2957 65.7604 31.5626 178.2252 73 K 4.1148 8.1284 117.9543 58.8003 31.9012 179.3406 74 K 4.0893 7.6142 117.8993 58.9620 32.0120 179.1473 75 L 4.1084 7.7520 118.7951 57.1432 41.4627 179.5274 76 L 4.1202 7.9334 119.3674 57.8694 41.4972 178.8895 77 N 4.3085 7.9996 115.0917 55.9234 38.8913 175.6098 78 A 4.4042 7.5640 119.2273 50.9686 19.3312 176.5199 79 E 3.8405 8.3814 115.9223 57.4021 27.9674 175.4044 80 L 4.6660 8.2180 118.8593 55.4668 43.0384 176.5499 81 V 5.1263 7.5006 117.0804 60.5563 35.1492 173.3545 82 K 4.5728 9.5042 120.2516 56.3357 36.2679 174.7313 83 L 5.0178 8.2395 119.8741 52.7488 43.1725 176.1483 84 E 3.3457 8.8681 116.6661 59.9149 31.1829 180.6278 *95 K 4.4119 7.3420 120.4940 55.5510 36.2586 176.6184 96 I 3.6394 8.4825 127.5966 63.4503 37.9994 174.6851 97 I 4.5311 8.8231 127.9720 59.5782 38.8971 174.7244 98 K 4.5990 8.7322 126.3699 54.3101 36.0955 175.5045 99 L 4.5187 8.4212 120.7960 54.9278 42.5208 177.3938 100 S 4.6391 8.4693 117.6038 57.1641 65.6810 174.7188 101 N 4.4369 8.6976 116.3420 56.2010 37.9685 177.8297 102 K 4.2727 8.1628 119.8752 59.1458 32.2784 179.4563 103 G 4.0524 7.8594 107.4089 47.1017 0.0000 176.0515 104 K 4.0816 8.2265 120.8538 59.2661 32.0011 179.6255 105 K 4.1015 8.1843 118.5854 59.2150 31.8433 178.9269 106 Y 3.7446 7.6041 118.7655 60.7226 38.8429 178.0023 107 I 3.5744 7.8090 120.3071 63.8340 37.0635 178.3554 108 K 4.0616 7.8444 119.4919 58.8572 31.7749 178.8555 109 E 4.0357 8.3839 118.8197 58.4598 29.3049 179.0852 110 R 3.6558 7.6349 119.3383 58.6183 30.1566 178.3497 111 K 3.8076 7.7348 117.8302 59.5544 31.9571 178.8209 112 A 3.9021 7.8318 120.8786 55.7386 17.7039 179.7116 113 I 3.8058 7.3039 117.4375 64.2258 37.2416 178.6422 114 M 4.0530 7.8747 119.7032 58.6018 31.9058 178.8329 115 S 4.1966 8.6980 115.6924 61.8979 62.7669 176.4116 116 H 4.2326 8.0148 121.1218 59.1623 29.7642 177.3213 117 I 3.9593 7.4773 113.4676 63.4033 37.4562 177.9058 118 A 3.9554 8.1964 122.4846 55.0734 18.5094 179.3821 119 S 4.1808 7.9556 114.0111 60.9808 62.7245 176.0313 120 D 4.3299 7.3288 120.2652 57.6834 40.8130 178.7279 121 M 4.2734 7.6351 115.1964 56.4604 31.8129 176.9429 122 T 3.2644 7.4817 108.6770 60.4257 69.7073 175.9010 123 S 4.1108 7.9952 117.8717 60.8108 62.9259 174.4713 124 D 4.8199 7.5817 118.1179 52.8598 39.7175 176.2475 125 F 4.6861 7.7461 118.6235 57.5783 39.6746 174.8155 126 D 4.6778 8.4842 122.3521 53.0189 40.2524 176.8790 127 S 4.1469 8.7722 123.7584 61.5144 62.5120 176.2709 128 K 4.2672 8.1151 121.0876 58.4439 32.2409 178.5838 129 E 3.8931 8.3362 119.1874 59.6463 29.4746 179.1583 130 I 3.6675 7.8429 119.0994 64.6259 37.0537 177.8323 131 E 3.9057 7.7619 118.6334 59.5407 29.4969 179.3000 132 K 4.1562 7.8122 120.1654 59.0145 32.0978 178.9367 133 V 3.5568 7.8202 118.4736 65.9661 31.3404 178.0419 134 R 3.9163 8.5178 118.8488 59.4618 29.6660 178.4919 135 Q 3.9651 8.3090 118.0927 58.8991 28.6693 178.9762 136 V 3.5865 7.6800 118.8947 65.9537 31.5570 178.1146 137 L 4.1020 7.7261 118.5274 57.4952 41.4839 179.2348 138 E 4.1052 8.4900 119.0841 59.2529 29.3690 179.4002 139 I 3.8345 7.6397 119.6917 64.3216 37.1414 178.5119 140 I 3.6967 7.8254 120.7145 64.2523 36.9302 177.8838 141 D 4.2810 8.5937 119.2073 57.5476 40.9588 177.3895 142 Y 4.0563 8.3872 120.3136 61.2090 38.7045 178.7161 143 R 3.8908 8.2415 118.5360 58.9446 30.1351 179.0712 144 I 3.5157 7.8556 120.1569 64.4779 36.8889 178.4431 145 Q 3.9855 7.8303 117.5221 58.8960 28.5485 178.7762 146 S 4.2255 7.3262 114.9870 62.0360 63.2772 176.1989 147 Y 4.2437 8.3626 119.3070 61.1890 37.3986 178.1066 148 T 4.1784 7.6612 114.1312 66.5254 68.8852 175.8807 149 S 4.3533 7.9126 116.7479 58.1666 62.8980 172.7097 150 K 3.4943 7.7744 116.8455 57.8753 32.7290 177.0962 151 L 4.2389 8.0058 124.1373 55.1146 41.2078 173.9911 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 5 I 8.02 4.25 1.87 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 1.36 1.10 0.88 0.00 0.00 6 E 7.74 4.49 0.00 2.07 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 2.30 2.37 0.00 7 D 8.69 5.01 0.00 2.97 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 8 H 7.93 4.47 0.00 3.23 3.39 0.00 5.63 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 9 I 7.77 3.83 2.16 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 1.68 0.88 0.98 0.00 0.00 10 S 7.92 4.12 0.00 4.10 3.96 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 0.00 0.00 0.00 11 F 8.55 4.15 0.00 3.19 3.37 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 12 L 8.77 3.69 0.00 1.95 1.83 0.95 0.11 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 13 E 8.24 3.90 0.00 2.23 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 2.32 2.40 0.00 14 K 8.48 3.86 0.00 1.75 1.87 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.43 7.81 15 F 8.47 3.89 0.00 1.96 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 16 I 7.97 3.60 1.93 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 1.58 1.08 0.86 0.00 0.00 17 N 8.32 4.31 0.00 2.84 2.81 0.00 0.00 6.98 8.62 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 18 D 7.96 4.20 0.00 2.62 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 7.31 3.36 1.79 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 0.89 0.00 0.00 0.25 0.00 0.00 20 N 7.93 4.26 0.00 2.91 2.78 0.00 0.00 7.00 7.03 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 21 T 7.65 3.88 4.30 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 1.18 0.00 0.00 22 L 8.09 3.94 0.00 1.68 1.71 0.89 0.75 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 23 T 8.04 3.80 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 1.18 0.00 0.00 24 A 8.03 3.98 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 25 K 7.75 4.03 0.00 1.88 1.87 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.67 7.81 26 L 7.89 4.07 0.00 1.59 1.71 0.89 0.86 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 27 L 7.89 4.53 0.00 1.76 1.70 0.90 0.29 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 28 K 7.74 3.80 0.00 2.06 1.91 0.00 1.55 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.57 7.81 29 D 8.02 4.38 0.00 2.76 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 30 L 8.08 4.10 0.00 1.79 1.79 1.14 0.20 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 31 Q 8.25 4.15 0.00 2.36 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.60 0.00 0.00 0.00 0.00 0.00 2.57 2.85 0.00 32 T 7.74 3.93 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 1.24 0.00 0.00 33 E 8.57 4.02 0.00 2.00 2.35 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 2.26 2.32 0.00 34 Y 7.96 4.22 0.00 3.05 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 35 G 7.90 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 36 I 7.28 3.97 1.73 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.73 0.75 0.00 0.00 37 S 8.19 4.60 0.00 4.08 3.99 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 0.00 0.00 0.00 38 A 8.31 3.99 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 39 E 8.26 3.88 0.00 2.20 2.25 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 2.37 2.42 0.00 40 Q 8.39 4.01 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 41 S 8.14 4.00 0.00 3.99 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 42 H 8.20 4.28 0.00 3.27 3.40 0.00 5.66 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 43 V 7.35 3.51 2.25 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 0.95 0.00 0.00 0.90 0.00 0.00 44 L 7.68 4.02 0.00 1.92 1.78 0.61 0.89 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 45 N 8.41 4.52 0.00 2.92 2.88 0.00 0.00 6.82 7.05 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 46 M 8.21 4.07 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 47 L 7.71 5.08 0.00 1.68 1.70 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 48 S 7.47 4.24 0.00 4.03 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 49 I 7.58 4.04 2.04 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 1.65 0.76 0.92 0.00 0.00 50 E 7.61 4.60 0.00 1.92 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 2.22 2.23 0.00 51 A 8.43 4.87 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 52 L 8.22 4.84 0.00 1.57 1.53 0.90 0.53 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 53 T 8.21 4.69 4.24 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 1.24 0.00 0.00 54 V 8.58 3.64 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 1.04 0.00 0.00 0.92 0.00 0.00 55 G 7.97 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 8.14 4.02 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.84 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 57 I 7.70 3.68 2.00 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 1.50 0.61 0.88 0.00 0.00 58 T 7.95 4.00 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 1.24 0.00 0.00 59 E 8.54 4.07 0.00 2.13 1.93 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 2.30 2.31 0.00 60 K 8.00 4.37 0.00 2.03 1.78 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.44 7.81 61 Q 7.84 4.33 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.63 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 62 G 8.14 4.02 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 0.00 0.00 0.00 63 V 7.02 4.02 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 0.74 0.00 0.00 0.93 0.00 0.00 64 N 8.47 4.33 0.00 2.75 2.69 0.00 0.00 6.47 5.99 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 65 K 9.08 3.79 0.00 1.82 1.81 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.47 7.81 66 A 8.14 3.96 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 67 A 7.80 3.91 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 68 V 7.72 3.61 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 1.08 0.00 0.00 0.92 0.00 0.00 69 S 8.16 4.06 0.00 4.14 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 70 R 8.17 3.88 0.00 1.94 2.10 0.00 3.08 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 71 R 7.90 4.07 0.00 1.89 1.94 0.00 3.23 0.00 0.00 3.48 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 72 V 7.78 3.65 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 1.02 0.00 0.00 1.01 0.00 0.00 73 K 8.13 4.11 0.00 1.93 1.84 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.47 7.81 74 K 7.61 4.09 0.00 2.01 1.83 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.79 7.81 75 L 7.75 4.11 0.00 1.85 1.69 0.89 0.41 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 76 L 7.93 4.12 0.00 1.85 1.70 0.92 0.48 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 77 N 8.00 4.31 0.00 2.77 3.04 0.00 0.00 7.22 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 78 A 7.56 4.40 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 79 E 8.38 3.84 0.00 2.07 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 2.26 2.26 0.00 80 L 8.22 4.67 0.00 1.67 1.68 0.92 0.84 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 81 V 7.50 5.13 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 0.73 0.00 0.00 0.95 0.00 0.00 82 K 9.50 4.57 0.00 1.74 1.94 0.00 1.30 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.43 7.81 83 L 8.24 5.02 0.00 1.55 1.64 0.92 1.02 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 84 E 8.87 3.35 0.00 1.92 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 2.30 2.39 0.00 *95 K 7.34 4.41 0.00 1.71 1.51 0.00 1.83 0.00 0.00 1.99 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.48 7.81 96 I 8.48 3.64 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 1.34 1.09 0.91 0.00 0.00 97 I 8.82 4.53 2.12 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 1.43 1.23 0.90 0.00 0.00 98 K 8.73 4.60 0.00 1.80 1.90 0.00 1.31 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.38 7.81 99 L 8.42 4.52 0.00 1.57 1.66 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 100 S 8.47 4.64 0.00 3.91 4.02 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 0.00 101 N 8.70 4.44 0.00 2.78 2.93 0.00 0.00 6.84 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 0.00 102 K 8.16 4.27 0.00 2.03 1.97 0.00 1.68 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.54 7.81 103 G 7.86 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.23 4.08 0.00 2.05 1.90 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.66 7.81 105 K 8.18 4.10 0.00 2.12 1.97 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.51 1.60 7.81 106 Y 7.60 3.74 0.00 2.47 2.99 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 0.00 0.00 0.00 107 I 7.81 3.57 2.02 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.23 0.90 0.00 0.00 108 K 7.84 4.06 0.00 1.94 1.82 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.43 1.73 7.81 109 E 8.38 4.04 0.00 1.99 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 2.34 2.45 0.00 110 R 7.63 3.66 0.00 1.28 1.79 0.00 2.94 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 111 K 7.73 3.81 0.00 1.96 1.81 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.72 7.81 112 A 7.83 3.90 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 0.00 113 I 7.30 3.81 1.80 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.07 0.89 0.00 0.00 114 M 7.87 4.05 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.88 0.00 115 S 8.70 4.20 0.00 3.82 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 0.00 116 H 8.01 4.23 0.00 3.26 3.42 0.00 5.60 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 7.48 3.96 1.81 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 1.42 0.52 0.91 0.00 0.00 118 A 8.20 3.96 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 0.00 119 S 7.96 4.18 0.00 4.04 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 0.00 120 D 7.33 4.33 0.00 2.86 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 0.00 121 M 7.64 4.27 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.50 0.00 122 T 7.48 3.26 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 1.09 0.00 0.00 123 S 8.00 4.11 0.00 3.94 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 0.00 124 D 7.58 4.82 0.00 2.82 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 0.00 125 F 7.75 4.69 0.00 3.07 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 0.00 126 D 8.48 4.68 0.00 2.72 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 0.00 127 S 8.77 4.15 0.00 4.11 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 0.00 128 K 8.12 4.27 0.00 1.97 1.88 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.67 1.52 7.81 129 E 8.34 3.89 0.00 2.14 1.90 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 2.27 2.51 0.00 130 I 7.84 3.67 2.08 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.00 0.96 0.00 0.00 131 E 7.76 3.91 0.00 2.23 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 2.34 2.57 0.00 132 K 7.81 4.16 0.00 1.80 1.90 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.29 7.81 133 V 7.82 3.56 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 0.88 0.00 0.00 0.84 0.00 0.00 134 R 8.52 3.92 0.00 1.87 2.05 0.00 3.17 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 135 Q 8.31 3.97 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 136 V 7.68 3.59 2.22 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 1.00 0.00 0.00 0.98 0.00 0.00 137 L 7.73 4.10 0.00 1.85 1.70 0.91 1.32 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 0.00 138 E 8.49 4.11 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 2.35 2.54 0.00 139 I 7.64 3.83 2.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.07 0.90 0.00 0.00 140 I 7.83 3.70 1.86 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 1.38 0.86 0.87 0.00 0.00 141 D 8.59 4.28 0.00 2.83 2.87 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 0.00 142 Y 8.39 4.06 0.00 3.17 3.23 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 0.00 143 R 8.24 3.89 0.00 1.90 1.55 0.00 3.17 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 1.81 2.04 0.00 144 I 7.86 3.52 1.96 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 1.42 1.15 0.88 0.00 0.00 145 Q 7.83 3.99 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.94 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 146 S 7.33 4.23 0.00 3.96 4.08 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 0.00 147 Y 8.36 4.24 0.00 2.97 2.99 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 0.00 0.00 0.00 148 T 7.66 4.18 4.44 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 1.22 0.00 0.00 149 S 7.91 4.35 0.00 3.86 3.85 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 0.00 150 K 7.77 3.49 0.00 1.69 1.72 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.58 7.81 151 L 8.01 4.24 0.00 1.74 1.91 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.