NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 H 4.8468 8.4293 120.3951 56.1047 31.1121 173.2250 13 I 3.8148 8.2112 118.9672 61.3576 38.0982 175.9345 14 S 4.3681 8.3883 114.3331 59.2171 63.6012 175.5337 15 L 4.4661 7.5042 120.5248 54.8745 42.4422 176.0878 16 N 4.8846 7.8016 116.2732 49.9543 37.8419 172.7806 17 P 4.2217 0.0000 0.0000 66.0200 31.7580 178.5345 18 D 4.4077 7.8857 116.0442 56.7912 41.1579 177.1259 19 L 4.4971 7.9256 115.4363 54.2610 42.7320 176.6258 20 A 4.2505 7.9965 122.4339 51.5990 19.9356 175.8145 21 N 4.7521 8.4339 114.9814 51.9362 39.4988 175.9901 22 E 4.0743 8.8947 123.2355 59.9064 28.9115 179.0075 23 D 4.3577 8.0949 118.4108 56.7658 41.1853 177.3990 24 E 4.4386 8.5915 118.2725 57.3216 30.3273 177.9204 25 V 2.7538 7.4860 116.0132 63.8445 31.7096 175.7358 26 N 4.8012 7.5174 113.8033 53.4402 39.0585 174.4921 27 S 4.6350 7.7495 114.2174 57.3744 63.4444 174.4064 28 C 4.5664 8.6505 122.4341 59.1306 40.3026 174.6207 29 D 4.3013 8.0232 118.8466 55.7514 41.0853 176.2580 30 Y 4.4331 7.7136 121.2044 57.7257 39.1900 176.6510 31 W 4.3264 9.1472 124.6418 59.8277 27.8974 177.8130 32 R 3.5143 5.8400 111.1316 56.1564 28.6667 176.0330 33 H 5.0986 7.9106 114.9995 56.0471 29.3019 173.3960 34 C 4.4698 8.0081 116.7731 57.2905 42.2879 174.2199 35 A 5.2938 7.4995 121.1690 50.4884 19.4912 175.7688 36 V 3.5548 7.5580 119.5614 63.2982 33.3775 174.5897 37 D 5.5550 7.6025 126.3927 50.4047 41.6176 175.7388 38 G 3.9566 7.1170 117.7326 45.8296 0.0000 170.2964 39 F 5.2668 8.1930 121.3209 55.1978 42.1109 174.2013 40 L 4.3512 8.7396 125.6679 54.8365 41.5307 177.1931 41 C 4.3100 8.9508 123.5376 60.0825 40.3108 176.4752 42 S 4.5444 8.0431 111.6363 59.8283 62.4467 175.3045 43 C 4.9348 8.5391 117.8197 57.0533 40.3996 173.2664 44 C 4.8541 8.9738 115.9493 56.6988 40.6531 175.1176 45 G 3.8474 8.8482 107.5330 45.0950 0.0000 173.9158 46 G 4.3993 7.6451 109.5109 43.8904 0.0000 171.3726 47 T 5.0927 7.8654 109.3689 59.5148 71.9008 174.5380 48 T 4.1567 8.3721 110.1529 63.8213 68.8271 175.2709 49 T 4.5779 7.6662 111.9089 60.9746 69.4520 173.4687 50 T 4.6600 7.6461 109.9906 61.3130 71.7594 172.2387 51 C 4.6776 8.4598 120.4246 55.1463 42.8951 172.2663 52 P 4.4596 0.0000 0.0000 61.7685 31.6218 173.8901 53 P 4.2201 0.0000 0.0000 64.4644 31.5366 177.0813 54 G 3.9328 8.9351 110.2734 45.2933 0.0000 172.9075 55 S 4.8696 7.8311 114.6779 56.9001 64.9968 173.9142 56 T 4.4503 9.5206 121.4393 61.8304 69.7716 172.7076 57 P 4.9056 0.0000 0.0000 62.6662 32.2459 175.8631 58 S 5.1483 9.0935 119.2644 55.9226 63.7082 172.8266 59 P 4.3248 0.0000 0.0000 65.0700 31.3536 176.2301 60 I 4.4959 7.4200 111.5012 59.7582 40.7814 176.0208 61 S 4.0499 7.1526 117.2314 58.8372 64.9468 178.1944 *63 I 4.0988 8.4325 119.1103 60.9524 37.8789 174.2551 64 G 4.4126 9.3662 111.9619 44.8977 0.0000 172.0595 65 T 5.0168 8.6517 117.5896 61.9777 69.7460 173.9571 66 C 5.0265 9.0620 124.2811 55.5253 43.0155 172.4226 67 H 5.3017 8.8682 122.6398 55.0684 30.8865 173.9481 68 N 3.8145 9.3848 126.4910 51.9386 38.9432 173.7666 69 P 4.3090 0.0000 0.0000 64.3835 31.9305 176.8170 70 H 4.4382 8.5279 116.9959 57.1526 29.2395 175.7037 71 D 4.8073 7.8823 116.8648 52.6034 39.5319 175.5723 72 G 4.1043 7.3839 104.0146 46.8882 0.0000 173.5885 73 K 4.6424 8.5482 118.2195 54.5570 35.5819 174.8556 74 D 5.4144 8.3410 121.1911 53.2265 42.9816 175.3754 75 Y 4.9822 9.4047 121.6078 56.2653 41.6458 174.9992 76 L 4.7633 9.2715 124.7961 53.9397 43.4279 174.9321 77 I 4.4887 8.6151 128.5406 59.8962 39.3052 174.8483 78 S 4.4227 8.7978 121.8521 56.9182 64.2156 172.7258 79 Y 5.6184 8.0556 125.5585 56.4576 37.2047 173.9356 80 H 4.6950 8.5605 120.6230 55.1889 30.6397 174.2610 81 D 5.5056 9.0420 122.2302 53.6386 43.4237 174.6188 82 C 5.3694 9.2764 118.7124 55.9151 41.2155 172.5001 83 C 5.2351 9.7475 119.7213 55.5346 44.6594 174.7825 84 G 3.6824 9.3504 107.5580 45.2435 0.0000 173.9518 85 K 4.6034 7.2991 117.3390 54.1728 35.9214 176.0865 86 T 4.0216 8.3686 111.4550 60.8849 69.3831 173.6539 87 A 3.9117 8.5385 123.8293 52.9880 18.6208 178.6645 88 C 3.9709 8.2549 122.8085 57.3873 43.8364 175.3053 89 G 3.3558 5.4751 104.7465 45.3956 0.0000 172.9971 90 R 4.5426 6.6221 117.0668 55.2500 33.5866 175.0259 91 C 4.3311 8.6777 116.0358 58.2154 37.6287 172.7717 92 Q 4.9346 7.8251 119.2961 56.2474 30.0333 176.6066 93 C 5.0014 9.0943 122.8081 55.3756 44.8207 172.7935 94 N 4.8448 8.5829 119.5092 51.8544 38.8549 172.0600 95 T 4.6542 8.8795 118.8995 60.7167 72.2867 174.5047 96 Q 4.9931 8.2560 124.5436 55.6546 30.3857 175.6248 97 T 4.0289 8.0783 116.7092 64.9963 68.7217 174.8226 98 R 3.8976 8.7448 123.5072 56.7676 27.8966 175.4674 99 E 4.5427 7.9064 119.0574 55.9602 30.5863 175.8155 100 R 4.7622 9.0273 124.1727 53.4506 35.3953 172.8004 101 P 4.3541 0.0000 0.0000 61.9479 32.2132 177.8642 102 G 3.7481 8.2872 109.3883 48.9224 0.0000 174.2291 103 Y 4.4798 7.2182 114.8159 58.1311 38.5581 175.5184 104 E 4.8748 7.9104 120.3892 58.1515 31.0117 177.4869 105 F 3.8214 8.2054 124.1912 61.5984 40.4490 176.6336 106 F 4.4942 8.3657 115.3407 57.9984 38.7180 175.5758 107 L 4.9637 8.7829 119.7551 54.3547 42.9425 174.9650 108 H 5.9155 8.3984 118.4138 53.8150 31.3138 173.8868 109 N 4.9742 9.0108 123.0818 52.8817 37.3869 174.2148 110 D 4.6783 7.1646 115.9988 54.5672 41.3110 176.5171 111 V 4.0254 6.6488 110.9078 58.9324 35.3317 175.0042 112 N 4.0494 8.1440 122.0218 53.3056 38.5956 175.2100 113 W 4.4693 8.3409 124.4908 58.0134 29.0235 176.3854 114 C 4.8566 8.5680 116.5727 56.7697 40.2067 175.1488 115 M 3.6898 7.8478 118.2596 57.9098 30.4598 177.1358 116 A 4.5800 7.9361 118.6605 51.7487 19.8635 176.3172 117 N 4.7213 8.2571 115.2808 52.4462 39.5476 175.8369 118 E 3.9005 8.9496 120.5804 58.8038 29.3835 176.7345 119 N 4.9881 7.9341 116.8721 51.5480 41.2421 174.7410 120 S 4.4404 8.8021 120.2815 60.4939 63.9024 174.3675 121 T 3.9149 8.1852 116.5430 62.8992 67.8757 172.3587 122 F 4.5747 9.0191 131.2616 58.7901 40.0147 173.1405 123 H 4.6152 8.4836 125.6730 56.8815 31.3951 171.6669 124 C 4.9841 7.1035 109.8026 55.0119 43.3493 171.6409 125 T 5.4241 9.0997 116.6036 62.3149 70.8384 174.2367 126 T 4.7258 8.8824 114.5328 60.1492 72.2185 173.2487 127 S 4.7692 8.4321 118.6388 56.7614 62.7261 172.7091 128 V 3.7897 8.3371 122.8332 62.0538 33.0552 174.5210 129 L 4.2906 8.3816 130.4738 55.1321 41.9993 176.2174 130 V 3.7280 8.5316 127.6420 63.7378 31.7871 176.5004 131 G 4.0489 7.1766 106.0687 45.8338 0.0000 171.5015 132 L 3.8320 8.5547 119.7477 53.9351 42.2123 176.8016 133 A 4.0268 8.7124 127.5495 52.4270 18.9182 179.0345 134 K 4.3587 8.3767 125.8806 54.5816 30.7817 176.8916 135 N 4.4928 7.5755 119.2067 53.1312 36.9911 175.3271 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 12 H 8.43 4.85 0.00 3.08 3.26 0.00 5.89 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.21 3.81 1.87 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 1.50 0.63 0.93 0.00 0.00 14 S 8.39 4.37 0.00 3.62 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 15 L 7.50 4.47 0.00 1.78 1.76 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 16 N 7.80 4.88 0.00 2.88 2.97 0.00 0.00 6.24 7.76 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 17 P 0.00 4.22 0.00 2.21 2.18 0.00 3.67 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 18 D 7.89 4.41 0.00 2.64 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.93 4.50 0.00 1.65 1.66 1.04 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.00 4.25 1.24 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 0.00 0.00 21 N 8.43 4.75 0.00 2.77 2.74 0.00 0.00 6.56 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 22 E 8.89 4.07 0.00 2.13 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 2.34 2.41 0.00 23 D 8.09 4.36 0.00 2.65 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 24 E 8.59 4.44 0.00 1.88 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 2.26 2.47 0.00 25 V 7.49 2.75 1.83 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 0.28 0.00 0.00 0.70 0.00 0.00 26 N 7.52 4.80 0.00 2.81 2.78 0.00 0.00 6.85 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.75 4.64 0.00 3.94 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 28 C 8.65 4.57 0.00 3.04 3.15 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 0.00 0.00 0.00 0.00 29 D 8.02 4.30 0.00 2.78 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Y 7.71 4.43 0.00 3.13 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 W 9.15 4.33 0.00 3.69 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 32 R 5.84 3.51 0.00 1.01 0.66 0.00 2.84 0.00 0.00 2.99 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.11 0.00 33 H 7.91 5.10 0.00 3.35 3.27 0.00 5.63 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 C 8.01 4.47 0.00 3.05 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.50 5.29 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 36 V 7.56 3.55 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 0.78 0.00 0.00 0.66 0.00 0.00 37 D 7.60 5.55 0.00 2.47 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 7.12 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 0.00 0.00 0.00 39 F 8.19 5.27 0.00 3.09 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 40 L 8.74 4.35 0.00 1.72 1.60 0.88 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 41 C 8.95 4.31 0.00 3.13 3.17 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 42 S 8.04 4.54 0.00 3.97 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 43 C 8.54 4.93 0.00 2.95 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 C 8.97 4.85 0.00 2.79 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 45 G 8.85 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 0.00 0.00 0.00 46 G 7.65 4.40 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 0.00 0.00 0.00 47 T 7.87 5.09 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 1.21 0.00 0.00 48 T 8.37 4.16 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 1.26 0.00 0.00 49 T 7.67 4.58 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 1.21 0.00 0.00 50 T 7.65 4.66 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 1.21 0.00 0.00 51 C 8.46 4.68 0.00 2.99 3.15 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 0.00 0.00 0.00 0.00 52 P 0.00 4.46 0.00 2.21 2.17 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 53 P 0.00 4.22 0.00 2.01 2.02 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 54 G 8.94 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 55 S 7.83 4.87 0.00 3.86 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 9.52 4.45 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 57 P 0.00 4.91 0.00 1.94 1.98 0.00 3.68 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 58 S 9.09 5.15 0.00 4.14 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 59 P 0.00 4.32 0.00 2.27 2.28 0.00 3.87 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 60 I 7.42 4.50 2.13 0.00 0.00 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 1.76 1.22 1.14 0.00 0.00 61 S 7.15 4.05 0.00 3.84 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 *63 I 8.43 4.10 1.84 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.25 0.90 0.00 0.00 64 G 9.37 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 65 T 8.65 5.02 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 1.26 0.00 0.00 66 C 9.06 5.03 0.00 3.11 3.34 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 67 H 8.87 5.30 0.00 3.26 3.31 0.00 5.92 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 N 9.38 3.81 0.00 1.44 2.53 0.00 0.00 6.52 8.31 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 69 P 0.00 4.31 0.00 2.11 2.11 0.00 3.33 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.01 0.00 70 H 8.53 4.44 0.00 2.99 3.33 0.00 5.79 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 D 7.88 4.81 0.00 2.72 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 72 G 7.38 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 0.00 0.00 0.00 73 K 8.55 4.64 0.00 2.01 1.44 0.00 1.67 0.00 0.00 1.50 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.73 7.81 74 D 8.34 5.41 0.00 2.55 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 75 Y 9.40 4.98 0.00 3.37 3.17 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 76 L 9.27 4.76 0.00 1.68 1.57 0.90 0.94 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 77 I 8.62 4.49 1.50 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.63 0.09 0.00 0.00 78 S 8.80 4.42 0.00 3.66 3.55 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 79 Y 8.06 5.62 0.00 2.85 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 80 H 8.56 4.69 0.00 3.26 3.25 0.00 5.60 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 9.04 5.51 0.00 2.91 2.96 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 82 C 9.28 5.37 0.00 2.84 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 83 C 9.75 5.24 0.00 2.84 3.22 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 84 G 9.35 3.68 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 0.00 0.00 0.00 85 K 7.30 4.60 0.00 1.36 1.46 0.00 1.56 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.24 1.29 7.81 86 T 8.37 4.02 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 1.22 0.00 0.00 87 A 8.54 3.91 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 88 C 8.25 3.97 0.00 2.40 2.66 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 0.00 0.00 0.00 0.00 89 G 5.48 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 6.62 4.54 0.00 1.78 1.78 0.00 3.23 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 91 C 8.68 4.33 0.00 3.15 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 92 Q 7.83 4.93 0.00 2.32 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.71 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 93 C 9.09 5.00 0.00 2.79 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.58 4.84 0.00 2.57 2.60 0.00 0.00 6.88 7.70 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 95 T 8.88 4.65 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 1.29 0.00 0.00 96 Q 8.26 4.99 0.00 1.91 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.08 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 97 T 8.08 4.03 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 1.27 0.00 0.00 98 R 8.74 3.90 0.00 2.02 2.08 0.00 3.40 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 99 E 7.91 4.54 0.00 2.00 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 2.46 2.48 0.00 100 R 9.03 4.76 0.00 1.60 1.63 0.00 3.38 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 101 P 0.00 4.35 0.00 0.91 1.77 0.00 3.23 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 102 G 8.29 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.22 4.48 0.00 3.10 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 0.00 104 E 7.91 4.87 0.00 1.95 1.94 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 2.39 2.36 0.00 105 F 8.21 3.82 0.00 3.09 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 0.00 106 F 8.37 4.49 0.00 3.10 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 0.00 107 L 8.78 4.96 0.00 1.74 1.64 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 108 H 8.40 5.92 0.00 3.18 3.14 0.00 5.55 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 N 9.01 4.97 0.00 2.69 2.78 0.00 0.00 6.92 7.98 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 0.00 110 D 7.16 4.68 0.00 2.47 2.57 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 0.00 111 V 6.65 4.03 1.43 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 0.44 0.00 0.00 -0.56 0.00 0.00 112 N 8.14 4.05 0.00 2.62 2.56 0.00 0.00 7.19 7.95 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 0.00 113 W 8.34 4.47 0.00 3.60 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 C 8.57 4.86 0.00 3.36 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 M 7.85 3.69 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.61 0.00 116 A 7.94 4.58 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 0.00 117 N 8.26 4.72 0.00 2.99 2.82 0.00 0.00 6.57 7.84 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 0.00 118 E 8.95 3.90 0.00 1.95 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 2.32 2.34 0.00 119 N 7.93 4.99 0.00 2.72 2.62 0.00 0.00 6.92 7.63 0.00 0.00 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 S 8.80 4.44 0.00 4.06 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 0.00 121 T 8.19 3.91 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 1.28 0.00 0.00 122 F 9.02 4.57 0.00 3.26 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 0.00 123 H 8.48 4.62 0.00 3.30 3.24 0.00 5.87 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 C 7.10 4.98 0.00 3.30 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 0.00 125 T 9.10 5.42 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 1.35 0.00 0.00 126 T 8.88 4.73 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 1.27 0.00 0.00 127 S 8.43 4.77 0.00 3.85 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 V 8.34 3.79 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.95 0.00 0.00 129 L 8.38 4.29 0.00 1.63 1.56 0.96 1.09 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 0.00 130 V 8.53 3.73 2.28 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 0.75 0.00 0.00 0.89 0.00 0.00 131 G 7.18 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 0.00 132 L 8.55 3.83 0.00 1.53 1.39 0.83 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 133 A 8.71 4.03 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 0.00 134 K 8.38 4.36 0.00 1.74 1.77 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.39 7.81 135 N 7.58 4.49 0.00 2.77 2.71 0.00 0.00 6.20 7.56 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 * Residues marked with a * may have inaccurate shift predictions.