NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 M 4.4348 8.4045 118.7934 53.6760 33.7681 176.1390 *2 V 3.6112 7.7492 115.4564 61.4135 32.2148 180.1256 *3 K 4.5466 8.7024 123.4137 54.0738 34.0291 176.5914 *4 F 4.4103 8.5767 124.7322 54.3545 40.2492 173.4964 *5 L 3.7078 9.0756 119.5672 56.4517 38.4628 177.4695 *6 K 4.7659 7.6453 119.4988 51.9995 35.9778 176.1944 7 P 4.3881 0.0000 0.0000 62.7745 31.6823 174.2983 8 G 3.8131 8.4774 103.8998 44.5304 0.0000 174.3914 9 K 4.4246 8.4261 116.8299 54.3093 33.1658 176.3499 10 A 4.4342 9.4032 125.0466 51.0740 21.2349 177.4565 11 V 4.7817 6.5997 115.0938 61.2747 33.6334 169.9392 12 I 5.1487 7.5336 123.3186 60.2530 42.1126 175.2425 13 L 4.1640 7.6653 123.6357 54.1903 45.8186 176.6380 14 L 4.2700 8.7652 124.3827 56.4308 43.7808 173.3296 15 Q 3.4766 8.3441 120.1112 56.3683 24.5546 172.9087 16 G 4.2722 7.9282 103.7234 44.8633 0.0000 169.7077 17 R 4.3094 7.0978 121.3493 55.6070 34.0888 176.1162 18 F 4.2523 9.1933 124.6765 61.0559 38.6827 174.2025 19 A 4.3881 8.4039 126.7326 53.6353 25.3045 178.2810 20 G 4.2163 6.6301 95.0000 44.0024 0.0000 177.9330 21 R 4.4418 8.5239 121.2082 55.4099 31.2066 174.8754 22 K 4.6200 8.3714 120.0597 55.1665 35.6795 175.3360 23 A 4.9792 9.1088 126.5558 49.9482 22.9859 175.0298 24 V 4.4124 8.9141 118.3489 59.7510 34.4179 175.1713 25 I 4.1709 8.4426 124.8195 60.7916 37.9711 175.6736 26 V 4.1166 8.3077 126.7397 62.1500 32.1300 175.7844 27 R 4.6104 7.3050 117.9912 55.4363 33.7504 175.2458 28 V 4.9209 7.9452 118.6392 59.0512 32.4138 175.0972 29 F 4.2123 9.1373 127.8365 60.7928 39.5368 175.9355 30 E 4.5971 8.5317 118.1404 51.6677 29.5183 174.3823 31 E 4.6294 7.8483 124.9895 55.7915 32.8878 175.3607 32 G 4.2614 8.5031 109.1969 45.2572 0.0000 174.3923 33 T 4.5856 8.1251 109.0563 59.2645 67.7287 173.5781 34 R 4.5128 7.5305 123.5309 56.9951 33.8228 174.3264 35 D 4.7675 8.6634 118.5606 54.1938 37.6822 172.4397 36 R 4.6392 8.0245 118.3843 53.9855 35.6186 173.4127 37 P 4.3645 0.0000 0.0000 62.0536 31.8617 175.8180 38 Y 4.0534 7.9531 122.1521 57.3601 37.6362 176.4307 39 G 3.9693 8.4132 114.2713 44.6031 0.0000 172.4527 40 H 4.8420 8.6454 115.2170 55.2303 31.5104 172.6668 41 C 5.1602 7.9097 112.3493 56.2782 32.6963 172.8295 42 L 4.7359 8.3026 119.1170 53.8073 44.5853 175.5374 43 V 4.7370 8.5047 124.5828 61.2628 34.8384 173.8319 44 A 4.8030 8.9352 127.0032 50.4571 23.4939 174.6693 45 G 4.2810 8.3690 104.3397 44.5329 0.0000 173.2703 46 L 4.2885 8.7803 125.1150 54.9916 42.2742 175.8389 47 A 4.4149 8.2511 122.5722 54.3955 20.4278 178.3945 *48 K 4.3032 7.8958 116.6625 54.0756 32.0406 179.0544 *49 Y 4.9230 7.3560 122.7519 58.3194 39.3816 175.6459 *50 P 4.5900 0.0000 0.0000 61.4797 31.2072 174.5728 *51 K 4.0836 7.6141 113.8980 56.6682 27.7798 177.6674 52 K 4.1715 7.8947 125.9908 56.1725 32.8738 177.5068 53 V 3.9286 8.3055 121.4273 62.7359 32.5718 174.8468 54 I 3.7326 8.1341 119.0305 61.5066 37.1663 172.5082 55 R 4.1798 6.9652 113.8821 54.6849 30.8918 174.7476 56 K 4.5708 8.3780 117.1079 55.5133 34.5429 175.7755 57 D 4.7897 8.2612 122.4312 52.5314 42.5912 176.0709 58 S 4.2556 8.3674 114.9846 58.6670 63.9740 172.7959 59 A 4.3019 8.0568 131.3973 52.3583 22.8349 178.1304 60 K 4.4708 8.4737 115.0644 57.6101 34.0013 175.5076 61 K 4.2523 8.1045 119.1927 57.2719 33.1464 176.5178 62 T 4.5982 8.0608 114.2289 61.4036 70.6497 173.8385 63 A 4.2123 8.5409 128.3959 51.9957 19.6283 176.5294 64 K 4.2913 8.4888 122.1301 55.6996 33.8142 176.0949 65 K 4.2933 8.3917 125.7302 55.6282 33.3458 177.7028 66 S 4.1653 8.7193 122.7236 61.9652 62.8430 177.1143 67 R 3.3362 7.6825 120.4139 58.8954 29.7102 179.3990 68 V 3.5457 7.4444 118.5067 64.1865 31.5490 177.5741 69 K 3.7691 8.5442 119.5266 57.6048 32.1178 178.2826 70 C 4.1986 7.6314 115.1174 61.7277 29.6906 175.8590 71 F 4.4333 8.0520 120.8061 60.0642 38.5135 177.4710 72 L 3.9937 8.7852 121.2031 58.1364 41.9186 179.2561 73 K 3.7702 8.1555 118.4620 59.2789 31.8683 179.3791 74 L 4.3485 8.7629 119.9463 57.6478 41.6681 179.5633 75 V 3.9012 8.2743 119.9776 65.2486 31.3516 177.9342 76 N 4.3775 7.9775 116.5319 56.1556 38.2829 177.4084 77 F 4.6030 8.4584 119.9414 60.7130 39.0104 177.9023 78 T 3.9838 8.7369 110.2183 65.1908 68.6536 176.4115 79 H 4.3212 8.7136 119.3974 58.4966 28.7225 177.7948 80 L 4.0675 8.6535 121.2777 58.0698 41.4115 179.4883 81 M 3.9958 8.7716 119.1933 57.7776 31.6434 177.0751 82 P 4.4186 0.0000 0.0000 66.1316 31.6725 178.5695 83 T 4.1023 7.8192 110.6239 63.9938 68.6859 176.8442 84 R 3.9206 8.5677 121.2812 59.2505 30.0553 178.6248 85 Y 4.5440 8.2467 117.1578 61.2733 37.7179 178.7502 86 T 3.9106 9.1374 111.7458 64.9302 68.7161 176.4611 87 L 4.2243 7.8260 123.0968 56.8448 41.6820 179.0498 88 D 4.3379 8.7644 118.2903 57.3294 41.2316 178.4486 89 V 3.5883 8.6870 119.8424 66.0500 31.6553 177.7698 90 D 4.3170 9.0315 119.7474 57.4886 40.7172 178.6989 91 L 4.1215 8.2225 119.7452 57.7451 41.6030 179.8454 92 K 3.9876 7.9831 118.2831 59.5498 31.9841 179.3130 93 E 3.9818 8.7478 119.1785 59.3626 29.1519 179.6599 94 V 4.0722 8.2907 118.8242 65.4709 31.6976 177.6630 95 A 4.1173 8.0011 119.3542 54.9127 18.2575 179.3191 96 A 4.2407 7.9722 118.5501 55.6318 18.6695 177.8934 97 G 4.2335 8.6829 104.6877 44.4479 0.0000 174.6106 98 P 4.9504 0.0000 0.0000 61.4530 30.9022 175.8353 99 D 4.2591 8.5425 117.0137 54.5411 41.8375 174.5637 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 8.40 4.43 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 *2 V 7.75 3.61 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 0.83 0.00 0.00 0.93 0.00 0.00 *3 K 8.70 4.55 0.00 1.74 1.64 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.25 0.96 7.81 *4 F 8.58 4.41 0.00 2.24 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 0.00 0.00 0.00 *5 L 9.08 3.71 0.00 1.83 1.66 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 *6 K 7.65 4.77 0.00 1.70 1.53 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.24 0.96 7.81 7 P 0.00 4.39 0.00 2.17 2.12 0.00 3.71 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 1.99 1.97 0.00 8 G 8.48 3.81 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 0.00 0.00 0.00 9 K 8.43 4.42 0.00 1.82 1.71 0.00 1.52 0.00 0.00 1.82 0.00 0.00 3.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.47 7.81 10 A 9.40 4.43 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 11 V 6.60 4.78 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 0.79 0.00 0.00 1.02 0.00 0.00 12 I 7.53 5.15 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 1.41 0.59 0.96 0.00 0.00 13 L 7.67 4.16 0.00 1.59 1.30 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.77 4.27 0.00 1.66 1.69 0.91 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.34 3.48 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 16 G 7.93 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 0.00 0.00 0.00 0.00 17 R 7.10 4.31 0.00 1.59 0.66 0.00 3.25 0.00 0.00 3.22 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.52 0.00 18 F 9.19 4.25 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 19 A 8.40 4.39 1.26 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 0.00 0.00 20 G 6.63 4.22 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 0.00 21 R 8.52 4.44 0.00 1.69 1.87 0.00 3.25 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.99 0.00 22 K 8.37 4.62 0.00 1.55 1.65 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.43 7.81 23 A 9.11 4.98 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 24 V 8.91 4.41 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 0.76 0.00 0.00 0.93 0.00 0.00 25 I 8.44 4.17 1.97 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 1.65 0.91 0.93 0.00 0.00 26 V 8.31 4.12 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 0.94 0.00 0.00 27 R 7.31 4.61 0.00 1.84 1.94 0.00 3.23 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 28 V 7.95 4.92 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 0.70 0.00 0.00 0.95 0.00 0.00 29 F 9.14 4.21 0.00 2.97 3.14 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 0.00 30 E 8.53 4.60 0.00 2.14 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 2.18 2.40 0.00 31 E 7.85 4.63 0.00 2.15 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 2.18 2.15 0.00 32 G 8.50 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 0.00 0.00 0.00 0.00 33 T 8.13 4.59 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 1.37 0.00 0.00 34 R 7.53 4.51 0.00 1.74 1.78 0.00 3.54 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 35 D 8.66 4.77 0.00 2.77 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 36 R 8.02 4.64 0.00 1.75 1.58 0.00 3.32 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00 37 P 0.00 4.36 0.00 0.49 1.27 0.00 3.46 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.87 0.00 38 Y 7.95 4.05 0.00 2.97 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 39 G 8.41 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.65 4.84 0.00 3.24 3.54 0.00 5.56 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 C 7.91 5.16 0.00 3.04 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 42 L 8.30 4.74 0.00 1.60 1.56 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.50 4.74 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 0.97 0.00 0.00 44 A 8.94 4.80 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 45 G 8.37 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 0.00 0.00 0.00 0.00 46 L 8.78 4.29 0.00 1.65 1.65 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.25 4.41 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 *48 K 7.90 4.30 0.00 1.78 1.69 0.00 1.92 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.31 0.99 7.81 *49 Y 7.36 4.92 0.00 2.34 2.13 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 0.00 *50 P 0.00 4.59 0.00 2.07 1.94 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.56 0.00 *51 K 7.61 4.08 0.00 1.85 1.91 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.30 1.02 7.81 52 K 7.89 4.17 0.00 1.72 1.83 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.48 7.81 53 V 8.31 3.93 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 0.70 0.00 0.00 0.86 0.00 0.00 54 I 8.13 3.73 1.85 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 1.40 1.04 0.89 0.00 0.00 55 R 6.97 4.18 0.00 1.80 1.89 0.00 3.13 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.89 0.00 56 K 8.38 4.57 0.00 1.69 1.66 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.33 7.81 57 D 8.26 4.79 0.00 2.66 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 58 S 8.37 4.26 0.00 3.83 3.70 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 59 A 8.06 4.30 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 60 K 8.47 4.47 0.00 1.70 1.74 0.00 1.76 0.00 0.00 1.89 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.31 7.81 61 K 8.10 4.25 0.00 1.88 2.03 0.00 1.54 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.48 7.81 62 T 8.06 4.60 4.52 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 1.35 0.00 0.00 63 A 8.54 4.21 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 64 K 8.49 4.29 0.00 1.72 1.68 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.49 7.81 65 K 8.39 4.29 0.00 1.82 1.62 0.00 1.75 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.48 7.81 66 S 8.72 4.17 0.00 3.82 3.82 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 0.00 0.00 0.00 67 R 7.68 3.34 0.00 1.61 1.18 0.00 3.15 0.00 0.00 3.53 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 68 V 7.44 3.55 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 0.89 0.00 0.00 0.98 0.00 0.00 69 K 8.54 3.77 0.00 1.74 2.07 0.00 1.59 0.00 0.00 1.88 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.40 7.81 70 C 7.63 4.20 0.00 3.20 3.33 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 71 F 8.05 4.43 0.00 2.93 3.13 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 0.00 72 L 8.79 3.99 0.00 1.88 1.79 0.89 -0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.16 3.77 0.00 2.06 1.93 0.00 1.48 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.49 1.16 7.81 74 L 8.76 4.35 0.00 1.92 1.82 1.09 1.00 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 75 V 8.27 3.90 2.27 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 0.99 0.00 0.00 0.90 0.00 0.00 76 N 7.98 4.38 0.00 2.43 2.40 0.00 0.00 6.91 8.10 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 77 F 8.46 4.60 0.00 3.20 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 78 T 8.74 3.98 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 1.26 0.00 0.00 79 H 8.71 4.32 0.00 3.20 3.32 0.00 5.62 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 80 L 8.65 4.07 0.00 2.04 1.83 1.01 1.19 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 81 M 8.77 4.00 0.00 1.96 2.15 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.88 0.00 82 P 0.00 4.42 0.00 2.33 2.39 0.00 3.75 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 2.28 2.16 0.00 83 T 7.82 4.10 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 1.29 0.00 0.00 84 R 8.57 3.92 0.00 1.85 1.94 0.00 3.07 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 85 Y 8.25 4.54 0.00 3.08 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 86 T 9.14 3.91 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 1.27 0.00 0.00 87 L 7.83 4.22 0.00 2.00 1.78 0.96 0.62 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 88 D 8.76 4.34 0.00 3.07 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 89 V 8.69 3.59 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 0.78 0.00 0.00 0.92 0.00 0.00 90 D 9.03 4.32 0.00 2.77 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 91 L 8.22 4.12 0.00 1.86 1.74 0.96 1.08 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 92 K 7.98 3.99 0.00 1.96 1.86 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.60 7.81 93 E 8.75 3.98 0.00 1.96 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 2.33 2.53 0.00 94 V 8.29 4.07 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 1.16 0.00 0.00 1.02 0.00 0.00 95 A 8.00 4.12 1.36 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 96 A 7.97 4.24 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 97 G 8.68 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 0.00 0.00 0.00 0.00 98 P 0.00 4.95 0.00 2.22 1.59 0.00 3.88 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 99 D 8.54 4.26 0.00 2.63 2.53 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 0.00 * Residues marked with a * may have inaccurate shift predictions.