NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 D 4.6479 8.3649 119.5546 52.9954 41.9707 174.5085 2 K 4.4825 8.1280 119.7032 55.3350 33.6153 173.3631 3 A 4.7869 7.2301 119.7798 51.3127 22.4348 175.4705 4 T 4.4432 8.3675 110.1178 59.9108 72.7942 173.1258 5 I 4.4532 7.9144 121.5536 58.7118 38.0148 174.0120 6 P 4.2696 0.0000 0.0000 65.0068 31.3063 176.2066 7 S 4.6615 7.6433 111.5586 56.0565 64.6931 173.0451 8 E 4.1789 9.2400 128.1301 59.2090 29.3003 177.3997 9 S 4.9273 7.7339 109.8262 55.3997 65.6059 171.6426 10 P 4.9009 0.0000 0.0000 62.8214 31.8375 175.9239 11 F 5.2230 8.3316 116.8010 54.4830 41.9940 174.0157 12 A 4.4944 8.8208 121.5747 52.3007 18.9119 178.5256 13 A 4.1056 9.3365 125.0750 53.8670 18.6684 179.0588 14 A 4.2452 7.9785 117.6948 53.7740 18.6052 177.9590 15 E 4.3895 8.0471 114.2737 56.6958 30.2576 176.9959 16 V 3.9116 7.3748 119.3672 62.2076 32.3266 175.5595 17 A 4.2920 8.3750 128.9525 51.5324 19.1726 176.7965 18 D 4.4632 8.4416 120.7455 55.7717 41.3543 177.7860 19 G 3.9339 8.8732 109.9050 45.4596 0.0000 173.9178 20 A 3.9889 7.3467 122.2731 52.1649 18.9852 177.1647 21 I 3.7178 8.3431 121.6077 61.9956 38.2268 175.2650 22 V 5.1816 8.1236 126.6096 59.8963 34.3650 174.6340 23 V 4.1753 7.9290 127.9788 61.6707 32.8040 174.5479 24 D 5.3010 8.7033 127.9664 53.8179 43.1470 175.4303 25 I 5.1370 8.6094 121.7681 59.7815 40.2448 174.5987 26 A 4.5702 9.0598 126.2474 51.4127 23.1783 175.9244 27 K 3.5390 9.5838 116.6013 57.8004 29.6574 175.6118 28 M 3.2257 8.4418 114.4088 56.2209 30.1256 177.1129 29 K 4.5502 7.6355 116.2357 54.6348 36.8710 175.5479 30 Y 4.7717 8.2424 120.3320 58.0258 38.3786 176.5381 31 E 3.9379 9.4000 125.3673 58.7607 30.3167 177.3538 32 T 4.6883 7.4790 114.3059 60.7864 69.1729 172.1037 33 P 4.4374 0.0000 0.0000 64.3004 33.1157 175.3643 34 E 4.7310 8.2184 120.2668 54.3696 31.7514 174.2715 35 L 4.7185 8.8014 130.0303 53.5290 44.6131 174.5842 36 H 5.2601 8.8632 123.5637 54.8064 30.1439 174.7432 37 V 4.5580 9.2316 116.8286 59.5113 36.0684 174.4931 38 K 4.8173 9.4582 120.6392 54.3571 34.6589 176.8869 39 V 3.7766 8.3861 121.8753 64.9132 31.7176 176.7142 40 G 4.0540 8.7597 114.0865 45.5144 0.0000 173.5372 41 D 4.5560 7.9789 120.8457 54.5278 42.1170 175.7490 42 T 4.7517 8.4663 120.3288 62.4586 69.3886 174.4367 43 V 3.9916 8.7416 128.0175 62.4028 33.2779 174.7836 44 T 5.1433 8.4609 124.2835 61.5824 71.3257 173.3968 45 W 5.0546 9.5002 127.0824 56.3172 31.0825 175.6574 46 I 5.0356 8.6889 123.6693 59.6804 41.0221 173.7927 47 N 4.8904 9.3402 126.9905 53.1574 39.6984 175.0978 48 R 5.0237 9.4546 125.1513 55.1758 30.6528 175.7179 49 E 4.7508 8.4634 116.7601 54.0782 32.9507 176.4871 50 A 3.8907 8.5530 121.9744 55.0477 18.6186 177.6499 51 M 3.9707 7.9640 115.3752 55.1751 32.2720 173.9834 52 P 5.1363 0.0000 0.0000 62.9728 32.2766 175.4765 53 H 5.0969 8.5683 118.6931 54.4741 33.8370 171.6897 54 N 4.9957 8.4142 116.0491 51.9892 40.7086 173.3508 55 V 4.4221 7.8141 110.2951 60.0293 35.1559 175.2842 56 H 5.0189 8.2509 123.6820 55.3287 32.6542 171.7686 57 F 4.8878 9.4088 125.9826 55.9239 40.9179 176.6536 58 V 4.2114 8.6419 115.9928 60.4953 33.1762 175.2540 59 A 3.9395 8.5538 124.1315 54.3290 18.3814 178.4265 60 G 3.9986 8.7911 111.1252 45.3190 0.0000 174.8476 61 V 4.0220 7.5068 118.9194 65.0362 32.0239 176.7955 62 L 4.2034 7.3576 117.2664 54.4618 43.5976 176.2939 63 G 3.7376 7.0749 105.3454 45.9451 0.0000 173.3797 64 E 4.0338 9.0101 117.8155 58.7586 30.0963 177.2597 65 A 4.3296 7.7276 118.8942 51.3403 19.2401 177.5548 66 A 4.2297 8.5534 122.4818 52.0317 19.6295 177.1286 67 L 4.2533 8.5330 124.0440 54.1926 43.2339 175.7651 68 K 4.4135 8.5163 127.5714 54.0562 32.1765 176.5869 69 G 3.5684 8.6342 112.7425 45.2352 0.0000 169.2303 70 P 4.5030 0.0000 0.0000 62.5328 32.4196 175.7637 71 M 4.3139 8.3173 121.0636 55.5581 32.9007 175.6720 72 M 4.4888 9.2112 124.4585 54.2707 33.9978 176.8623 73 K 4.4439 9.2341 124.4897 55.0838 34.5438 176.1527 74 K 4.2719 8.3260 121.5062 57.8752 32.0195 176.0899 75 E 3.8690 9.9389 126.0173 57.2892 27.3916 173.8865 76 Q 4.8175 7.7325 117.1807 54.5571 31.7846 174.3775 77 A 5.1025 8.0711 121.0837 50.9466 23.3463 174.6293 78 Y 5.0729 8.8087 118.7567 56.8506 42.7443 173.6378 79 S 5.5495 8.6015 122.0669 56.9197 66.3118 173.3159 80 L 4.6987 9.1182 122.6251 53.1874 45.2823 175.7414 81 T 4.7061 8.3809 120.8154 62.8084 69.9703 173.9352 82 F 4.8763 9.1060 127.0450 56.9573 39.7664 176.5036 83 T 4.5404 8.6644 114.2238 61.8619 69.6090 174.3361 84 E 4.8927 8.0289 121.7070 54.3595 32.9424 174.5086 85 A 4.3942 8.6646 126.5398 52.6006 19.6364 176.0634 86 G 3.7825 8.2827 105.4633 43.7077 0.0000 172.9386 87 T 4.6143 7.7046 116.4975 62.0850 70.2073 174.5779 88 Y 5.0189 8.5701 124.6675 56.0512 39.7556 174.8080 89 D 5.1067 8.8803 124.1512 54.6581 42.1826 175.0602 90 Y 4.8092 8.5636 119.6338 56.4547 42.2395 172.6140 91 H 5.5220 8.2650 113.7491 56.3183 32.7019 171.7153 92 C 4.9023 8.3574 118.6006 58.0900 32.8216 174.1225 93 T 3.9029 9.8051 125.2970 66.3419 68.1055 173.7897 94 P 4.4919 0.0000 0.0000 63.9523 32.5714 175.7215 95 H 4.6795 7.5845 116.3128 53.7961 28.4333 172.4617 96 P 4.4979 0.0000 0.0000 63.5698 31.7332 177.6953 97 F 4.3750 7.1267 112.9260 58.1900 38.7275 175.4427 98 M 4.3174 7.4470 122.9448 54.7846 32.1782 175.2473 99 R 5.0367 8.6692 122.7854 54.2441 33.3685 175.4984 100 G 3.3644 7.3906 108.9037 44.2364 0.0000 171.1266 101 K 5.0606 8.4583 119.2657 55.2406 36.1603 174.5293 102 V 4.6984 8.8166 127.3866 61.1498 33.9413 174.3507 103 V 4.0637 9.1330 130.2587 61.8915 32.8182 174.8979 104 V 4.4616 8.3142 129.5617 61.3998 32.8262 175.4643 105 E 4.3129 9.1332 127.4873 56.4631 29.0999 176.6139 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 D 8.36 4.65 0.00 2.38 2.42 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 2 K 8.13 4.48 0.00 1.45 1.60 0.00 1.82 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.42 7.81 3 A 7.23 4.79 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.37 4.44 4.14 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 0.00 0.00 0.00 1.13 0.00 0.00 5 I 7.91 4.45 1.81 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 1.23 0.57 0.87 0.00 0.00 6 P 0.00 4.27 0.00 1.82 2.02 0.00 3.59 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.03 0.00 7 S 7.64 4.66 0.00 3.65 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 8 E 9.24 4.18 0.00 2.04 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 0.00 2.34 2.29 0.00 9 S 7.73 4.93 0.00 4.02 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 10 P 0.00 4.90 0.00 2.07 2.01 0.00 3.66 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 2.16 2.05 0.00 11 F 8.33 5.22 0.00 3.08 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 12 A 8.82 4.49 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 13 A 9.34 4.11 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 14 A 7.98 4.25 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 15 E 8.05 4.39 0.00 2.47 2.06 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 2.32 2.30 0.00 16 V 7.37 3.91 2.30 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 0.80 0.00 0.00 1.17 0.00 0.00 17 A 8.38 4.29 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.44 4.46 0.00 2.69 2.63 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 0.00 0.00 0.00 0.00 19 G 8.87 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 20 A 7.35 3.99 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 21 I 8.34 3.72 1.96 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 1.20 0.53 0.80 0.00 0.00 22 V 8.12 5.18 2.06 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 0.80 0.00 0.00 0.94 0.00 0.00 23 V 7.93 4.18 1.58 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 1.30 0.00 0.00 0.74 0.00 0.00 24 D 8.70 5.30 0.00 2.74 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 25 I 8.61 5.14 1.95 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.08 0.65 0.00 0.00 26 A 9.06 4.57 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.58 3.54 0.00 1.92 1.91 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.40 7.81 28 M 8.44 3.23 0.00 2.45 2.26 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.68 0.00 29 K 7.64 4.55 0.00 1.95 1.65 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.41 7.81 30 Y 8.24 4.77 0.00 3.12 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 31 E 9.40 3.94 0.00 1.98 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 2.39 2.47 0.00 32 T 7.48 4.69 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 33 P 0.00 4.44 0.00 2.13 2.37 0.00 3.69 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 34 E 8.22 4.73 0.00 1.95 1.89 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 2.17 2.20 0.00 35 L 8.80 4.72 0.00 1.78 1.49 0.87 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.86 5.26 0.00 3.05 3.21 0.00 5.69 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 9.23 4.56 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 0.64 0.00 0.00 0.85 0.00 0.00 38 K 9.46 4.82 0.00 1.67 1.71 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.46 7.81 39 V 8.39 3.78 2.11 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 0.82 0.00 0.00 0.98 0.00 0.00 40 G 8.76 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 41 D 7.98 4.56 0.00 2.80 2.63 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 0.00 0.00 0.00 0.00 42 T 8.47 4.75 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 1.20 0.00 0.00 43 V 8.74 3.99 2.01 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 -0.08 0.00 0.00 0.90 0.00 0.00 44 T 8.46 5.14 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 1.31 0.00 0.00 45 W 9.50 5.05 0.00 3.66 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 46 I 8.69 5.04 1.92 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 1.09 0.86 0.96 0.00 0.00 47 N 9.34 4.89 0.00 2.90 2.92 0.00 0.00 6.72 7.73 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 48 R 9.45 5.02 0.00 1.82 1.96 0.00 3.31 0.00 0.00 3.16 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 49 E 8.46 4.75 0.00 2.14 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 2.24 2.30 0.00 50 A 8.55 3.89 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 51 M 7.96 3.97 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.65 0.00 52 P 0.00 5.14 0.00 1.89 1.91 0.00 3.67 0.00 0.00 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 53 H 8.57 5.10 0.00 3.00 3.01 0.00 5.57 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.41 5.00 0.00 2.60 2.63 0.00 0.00 5.88 7.68 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 55 V 7.81 4.42 0.94 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 -0.86 0.00 0.00 0.40 0.00 0.00 56 H 8.25 5.02 0.00 2.92 2.83 0.00 5.58 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 9.41 4.89 0.00 3.04 3.05 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 58 V 8.64 4.21 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 1.00 0.00 0.00 1.01 0.00 0.00 59 A 8.55 3.94 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 60 G 8.79 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 61 V 7.51 4.02 2.40 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 1.28 0.00 0.00 1.18 0.00 0.00 62 L 7.36 4.20 0.00 1.47 1.30 -0.12 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 63 G 7.07 3.74 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 0.00 0.00 0.00 64 E 9.01 4.03 0.00 1.97 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 2.30 2.30 0.00 65 A 7.73 4.33 1.21 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 0.00 0.00 66 A 8.55 4.23 1.35 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 0.00 0.00 67 L 8.53 4.25 0.00 1.66 1.71 0.73 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.52 4.41 0.00 1.54 1.57 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.89 1.24 7.81 69 G 8.63 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 0.00 0.00 0.00 70 P 0.00 4.50 0.00 1.99 2.00 0.00 2.59 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.18 0.00 71 M 8.32 4.31 0.00 1.85 1.98 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.43 0.00 72 M 9.21 4.49 0.00 1.92 2.09 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 73 K 9.23 4.44 0.00 1.68 1.76 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.37 7.81 74 K 8.33 4.27 0.00 1.74 1.75 0.00 1.68 0.00 0.00 0.97 0.00 0.00 3.14 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.57 7.81 75 E 9.94 3.87 0.00 2.13 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 0.00 2.21 2.42 0.00 76 Q 7.73 4.82 0.00 2.09 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 77 A 8.07 5.10 0.61 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 78 Y 8.81 5.07 0.00 3.03 2.78 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 0.00 0.00 0.00 79 S 8.60 5.55 0.00 3.75 3.87 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 80 L 9.12 4.70 0.00 1.32 0.90 0.73 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.38 4.71 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 82 F 9.11 4.88 0.00 3.10 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 83 T 8.66 4.54 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 1.19 0.00 0.00 84 E 8.03 4.89 0.00 2.00 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 2.26 2.36 0.00 85 A 8.66 4.39 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 86 G 8.28 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 87 T 7.70 4.61 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 1.15 0.00 0.00 88 Y 8.57 5.02 0.00 3.24 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 89 D 8.88 5.11 0.00 2.65 2.60 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 0.00 0.00 0.00 0.00 90 Y 8.56 4.81 0.00 1.94 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 0.00 0.00 0.00 0.00 91 H 8.27 5.52 0.00 3.15 3.31 0.00 5.51 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 C 8.36 4.90 0.00 2.90 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 93 T 9.81 3.90 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 1.21 0.00 0.00 94 P 0.00 4.49 0.00 2.08 2.08 0.00 3.43 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.78 0.00 95 H 7.58 4.68 0.00 2.67 1.84 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 4.50 0.00 2.00 1.97 0.00 3.75 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 97 F 7.13 4.37 0.00 3.12 3.19 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 0.00 98 M 7.45 4.32 0.00 1.40 1.78 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.43 0.00 99 R 8.67 5.04 0.00 1.62 1.69 0.00 3.14 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 100 G 7.39 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 0.00 101 K 8.46 5.06 0.00 1.79 1.70 0.00 1.63 0.00 0.00 1.53 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.57 7.81 102 V 8.82 4.70 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 0.27 0.00 0.00 1.23 0.00 0.00 103 V 9.13 4.06 1.68 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 0.91 0.00 0.00 0.78 0.00 0.00 104 V 8.31 4.46 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 1.07 0.00 0.00 0.86 0.00 0.00 105 E 9.13 4.31 0.00 1.97 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.