NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7887 8.4244 117.7923 52.3829 39.3869 173.1901 4 T 4.7232 8.1306 113.9536 58.0145 70.7050 172.4724 5 T 4.5265 8.9855 118.8716 60.4053 72.8718 174.9809 6 Y 3.9689 8.4944 121.5670 60.9743 38.7043 178.2759 7 V 3.6368 8.0039 118.4284 66.1794 31.7694 177.6952 8 Q 4.0657 8.1309 117.6104 59.2427 28.5463 178.9106 9 E 4.0803 8.2263 119.4708 59.3031 29.3855 178.5344 10 Y 3.5231 8.0174 119.9357 61.1423 38.7588 178.2728 11 H 4.2034 8.4524 116.6556 58.5192 28.6064 177.6533 12 A 4.0023 7.8863 122.3990 55.3393 18.1779 179.8163 13 I 3.3592 7.5104 118.4001 64.2574 37.0194 178.7877 14 V 3.2591 7.5225 119.4050 65.7632 31.0039 177.5651 15 E 3.8821 7.8066 118.2504 59.2064 29.4684 178.8500 16 V 3.6513 7.2904 118.0914 66.1443 31.6106 178.1547 17 L 3.7317 7.8925 118.8418 57.4798 41.3248 179.3864 18 S 4.0534 8.4183 113.8014 61.2921 62.2878 176.2874 19 K 3.9508 7.7488 120.9763 59.5779 31.7894 178.5681 20 Y 4.1954 7.9387 119.1281 60.9626 38.7851 177.8235 21 N 4.1672 8.4714 117.6032 56.1012 38.5295 177.1738 22 E 3.9767 8.7720 121.2680 59.1491 29.8339 178.7513 23 G 3.8388 8.5411 106.4087 47.9126 0.0000 175.7309 24 G 3.5227 7.9619 108.1309 47.4431 0.0000 175.7355 25 K 4.0272 8.1880 122.8007 58.6892 32.0281 178.1081 26 K 4.1969 8.3007 115.7785 55.3783 33.3579 176.2978 27 A 3.7804 7.7989 122.0587 53.0411 16.7216 178.3271 28 D 4.5816 8.7276 120.7781 52.1733 43.2189 175.8649 29 S 4.1500 9.1986 123.2723 60.8243 63.3423 176.0813 30 T 3.8020 7.7667 111.2491 64.6814 68.4216 175.4520 31 I 3.8557 7.3655 119.1000 62.2095 36.9665 176.5070 *33 R 4.0196 8.0392 122.5505 55.8542 31.2256 175.8119 34 P 4.3835 0.0000 0.0000 64.9259 31.6210 177.1844 35 A 4.1399 8.1385 119.6741 53.5261 19.4784 176.9200 36 F 5.2737 8.0217 114.1084 55.3068 41.4914 176.0112 37 S 4.4185 9.0016 118.4554 58.4444 62.8648 175.4927 38 S 4.2482 8.9573 119.7908 61.1605 62.8405 174.9974 39 Q 4.3265 7.8569 117.4631 55.5755 29.0126 175.6705 40 A 5.1476 8.1938 121.4095 52.0160 19.7376 176.9271 41 T 4.8824 8.4589 108.7690 59.7642 73.0019 172.4298 42 I 4.9763 8.1037 122.2646 59.3752 41.4186 174.1034 43 F 5.3910 9.0625 126.6065 56.4549 43.8885 174.0977 44 G 3.4865 9.1016 107.9571 45.2396 0.0000 170.9047 45 V 4.9384 7.9069 119.1424 61.0413 34.1164 176.1633 46 D 4.8254 9.0209 128.2450 52.0603 41.1672 177.2792 47 V 3.6821 8.3012 117.6769 64.9175 31.3265 176.4176 48 D 4.6433 8.2558 118.4205 54.0195 40.4672 175.9680 49 N 4.2699 8.1439 114.2684 54.0296 36.8408 173.9126 50 K 4.5556 8.0793 117.9699 54.5078 34.2422 175.9867 51 L 4.4417 8.4785 125.8959 56.0971 42.7454 176.1273 52 T 4.5911 9.7795 120.1342 60.1743 70.7879 172.5765 53 G 3.5908 9.4099 115.7253 45.5415 0.0000 171.4769 54 G 3.5772 6.9466 110.9830 44.0955 0.0000 170.3654 55 P 4.3297 0.0000 0.0000 62.8408 32.0499 177.1678 56 I 3.2299 8.0023 121.1748 63.4020 37.6337 177.9118 57 Q 3.7266 7.8699 120.4351 59.3899 28.7685 178.6402 58 G 3.4488 7.7902 106.4292 47.3581 0.0000 175.4327 59 L 3.6418 7.1976 122.4932 58.1187 42.0704 179.1996 60 F 4.4222 7.3019 117.1032 60.5408 38.7456 177.2931 61 D 4.3181 8.2187 118.7936 57.3530 40.5550 178.9501 62 V 3.4669 7.4990 118.3686 65.8849 31.0144 178.1390 63 I 3.2800 7.6252 119.5687 64.4872 36.7439 178.1813 64 D 4.6401 7.9350 118.2868 56.3623 40.8571 177.5884 65 N 4.8480 8.3043 114.5493 52.8839 39.7699 175.2627 66 V 4.2579 7.7533 118.1432 64.2797 33.4334 176.1930 67 F 4.5928 7.5936 117.2557 57.8305 39.3272 174.2599 68 H 5.2014 8.1666 119.7185 52.9898 32.0442 172.0576 69 P 4.3909 0.0000 0.0000 63.9407 31.8579 176.9303 70 S 4.7196 9.1462 120.1231 55.4211 62.9805 172.8748 71 P 4.2020 0.0000 0.0000 65.2391 31.4058 178.2726 72 E 4.1021 8.0806 116.2590 57.2687 29.8311 176.6034 73 A 4.4716 7.8924 122.3279 52.2719 19.1529 177.2901 74 K 4.6000 9.0331 121.0952 54.6070 35.7982 175.2481 75 A 5.3970 8.8564 126.3476 50.0278 21.8685 175.2914 76 A 4.5564 9.1094 122.4597 50.2423 22.0639 175.8334 77 I 4.3908 8.6292 124.1213 60.6277 35.8244 175.6492 78 A 4.2430 8.7709 129.8364 54.7800 19.1833 177.8786 79 R 4.6326 7.6831 113.2900 55.5127 33.8067 173.9780 80 I 4.9585 8.6243 126.2012 59.8041 40.2719 174.2424 81 D 5.0587 9.5096 128.0662 52.8186 42.8364 175.7361 82 I 4.8917 8.6186 123.5566 59.5152 40.5949 175.3616 83 V 4.3175 8.9979 126.7992 61.5144 34.4260 177.1239 84 G 3.9500 8.7728 119.6974 47.2525 0.0000 173.1983 85 T 4.0405 8.8965 115.5800 61.1472 69.5294 173.4797 86 A 5.6147 8.2985 124.3734 50.6834 22.3994 175.2898 87 A 5.1033 9.0913 121.0283 50.7096 23.3865 175.2036 88 S 5.3071 9.1821 114.3547 56.5013 65.9232 172.8130 89 A 5.3204 9.2147 127.0370 50.1955 23.0193 174.5276 90 R 5.0331 9.1351 120.7866 54.5710 33.0682 174.5667 91 I 5.1247 8.8726 126.8030 59.6888 40.6691 174.0262 92 D 5.5363 9.1445 126.8434 52.9724 43.6116 175.5912 93 T 5.2073 9.1029 118.8261 62.0836 72.6706 172.6384 94 D 4.9979 9.2719 126.2544 52.9041 43.6801 176.1247 95 D 4.0112 8.3882 119.0644 55.7143 38.2834 174.9603 96 I 4.0998 7.7388 120.0660 59.8481 38.5539 175.2278 97 S 3.5939 9.4106 127.6203 59.5447 60.6274 174.0684 98 G 3.6129 8.1153 105.0170 45.3587 0.0000 173.2072 99 F 4.8141 7.7123 118.0873 55.2937 42.7456 174.4440 100 R 4.9060 8.1306 120.5544 54.7270 32.7579 174.0266 101 F 5.7413 9.2675 124.7395 56.0980 43.2395 174.2070 102 T 5.0490 8.9458 117.8540 61.9970 71.1636 172.9836 103 D 5.3297 9.1432 126.0924 52.4031 44.2747 175.0232 104 F 5.4184 8.7156 120.8667 55.7254 42.1938 174.3809 105 F 5.3441 9.5271 121.7377 55.7526 42.6323 173.7009 106 N 5.5045 9.2380 120.4050 51.6255 40.9707 173.8873 107 L 5.4671 9.3290 123.2659 52.9802 46.0279 175.5410 108 L 5.4005 8.9336 120.8663 52.9490 45.9643 176.0443 109 K 3.7940 8.3406 124.7678 54.9804 32.1669 175.7252 110 V 4.0671 8.4253 128.6843 61.8130 32.8115 175.7239 111 E 3.8659 9.7093 127.9506 57.5593 26.8428 175.7865 112 G 3.8825 8.3779 104.5613 45.2506 0.0000 173.8155 113 K 4.6027 7.6713 119.0890 53.9019 35.9616 175.9079 114 W 4.7533 8.8163 124.7524 57.1775 29.9806 175.5423 115 T 4.8085 8.9943 117.8243 60.4045 71.0525 172.7028 116 V 4.3769 8.8226 128.8696 63.0127 32.3491 176.6228 117 V 4.3995 8.9662 120.2027 61.9116 34.1867 175.6499 118 S 5.1403 8.0131 114.9399 56.6743 66.0470 172.4106 119 K 4.8398 9.2292 128.4386 54.4624 34.9305 174.6843 120 I 5.7546 8.8306 119.6963 58.5582 41.4223 173.4462 121 Y 5.2938 7.8320 118.8808 56.1099 41.0580 173.2779 122 H 4.9732 9.5631 121.0441 54.8131 32.8570 172.5405 123 T 4.9196 8.4465 122.3889 62.6474 69.2908 174.3831 124 H 4.6280 9.0951 125.2347 54.3909 29.9176 174.1397 125 P 4.4255 0.0000 0.0000 63.1834 31.2579 176.2060 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 3 N 8.42 4.79 0.00 2.76 2.68 0.00 0.00 6.39 6.83 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 4 T 8.13 4.72 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 1.34 0.00 0.00 5 T 8.99 4.53 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 1.30 0.00 0.00 6 Y 8.49 3.97 0.00 3.09 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 7 V 8.00 3.64 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 1.13 0.00 0.00 1.01 0.00 0.00 8 Q 8.13 4.07 0.00 2.39 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 9 E 8.23 4.08 0.00 1.93 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 2.61 2.63 0.00 10 Y 8.02 3.52 0.00 2.34 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 11 H 8.45 4.20 0.00 3.27 3.34 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.89 4.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.51 3.36 1.33 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 -0.36 0.44 0.00 0.00 14 V 7.52 3.26 1.97 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 0.91 0.00 0.00 0.20 0.00 0.00 15 E 7.81 3.88 0.00 2.12 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 0.00 2.31 2.31 0.00 16 V 7.29 3.65 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 1.02 0.00 0.00 17 L 7.89 3.73 0.00 1.49 1.45 0.58 0.28 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 18 S 8.42 4.05 0.00 3.88 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 19 K 7.75 3.95 0.00 2.01 2.05 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.65 7.81 20 Y 7.94 4.20 0.00 3.02 3.07 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 21 N 8.47 4.17 0.00 2.89 2.85 0.00 0.00 6.73 8.52 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 22 E 8.77 3.98 0.00 2.02 1.97 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 2.29 2.31 0.00 23 G 8.54 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.96 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 25 K 8.19 4.03 0.00 1.97 1.96 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.60 7.81 26 K 8.30 4.20 0.00 1.83 1.84 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.45 1.55 7.81 27 A 7.80 3.78 1.40 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 28 D 8.73 4.58 0.00 2.56 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 0.00 0.00 0.00 0.00 29 S 9.20 4.15 0.00 3.70 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 0.00 30 T 7.77 3.80 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 1.17 0.00 0.00 31 I 7.37 3.86 1.97 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 1.16 0.63 0.98 0.00 0.00 *33 R 8.04 4.02 0.00 1.34 1.73 0.00 3.06 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.48 0.00 34 P 0.00 4.38 0.00 2.09 2.11 0.00 3.90 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 35 A 8.14 4.14 1.10 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 36 F 8.02 5.27 0.00 3.23 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 37 S 9.00 4.42 0.00 3.98 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 38 S 8.96 4.25 0.00 4.06 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 39 Q 7.86 4.33 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 40 A 8.19 5.15 1.52 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 41 T 8.46 4.88 4.15 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 1.30 0.00 0.00 42 I 8.10 4.98 1.61 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.61 0.56 0.00 0.00 43 F 9.06 5.39 0.00 2.93 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 44 G 9.10 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.91 4.94 2.05 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 0.92 0.00 0.00 0.87 0.00 0.00 46 D 9.02 4.83 0.00 2.96 2.86 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 0.00 0.00 0.00 47 V 8.30 3.68 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 0.78 0.00 0.00 0.97 0.00 0.00 48 D 8.26 4.64 0.00 2.83 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 49 N 8.14 4.27 0.00 2.89 2.91 0.00 0.00 6.82 6.95 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 50 K 8.08 4.56 0.00 2.08 1.71 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.56 7.81 51 L 8.48 4.44 0.00 1.56 1.55 0.80 0.47 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 52 T 9.78 4.59 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 1.34 0.00 0.00 53 G 9.41 3.59 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 0.00 0.00 0.00 54 G 6.95 3.58 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 0.00 0.00 0.00 55 P 0.00 4.33 0.00 2.05 1.90 0.00 3.48 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 56 I 8.00 3.23 1.59 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 -0.19 0.66 0.00 0.00 57 Q 7.87 3.73 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 58 G 7.79 3.45 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 0.00 59 L 7.20 3.64 0.00 1.35 1.16 0.66 0.81 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 60 F 7.30 4.42 0.00 3.12 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 61 D 8.22 4.32 0.00 2.77 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 62 V 7.50 3.47 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 0.63 0.00 0.00 0.81 0.00 0.00 63 I 7.63 3.28 1.95 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.89 0.91 0.00 0.00 64 D 7.93 4.64 0.00 2.75 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 65 N 8.30 4.85 0.00 2.74 2.85 0.00 0.00 6.76 8.26 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 66 V 7.75 4.26 2.37 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 1.10 0.00 0.00 0.98 0.00 0.00 67 F 7.59 4.59 0.00 3.30 2.97 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 68 H 8.17 5.20 0.00 3.04 3.15 0.00 5.68 0.00 0.00 0.00 0.00 6.90 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 4.39 0.00 1.95 2.03 0.00 3.68 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 2.06 2.35 0.00 70 S 9.15 4.72 0.00 3.69 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 71 P 0.00 4.20 0.00 2.17 2.19 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 72 E 8.08 4.10 0.00 2.22 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 2.31 1.87 0.00 73 A 7.89 4.47 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 74 K 9.03 4.60 0.00 1.67 1.69 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.58 1.51 7.81 75 A 8.86 5.40 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 76 A 9.11 4.56 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 77 I 8.63 4.39 1.89 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 1.25 0.58 0.85 0.00 0.00 78 A 8.77 4.24 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 79 R 7.68 4.63 0.00 1.95 1.84 0.00 3.41 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 80 I 8.62 4.96 2.01 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.78 0.65 0.00 0.00 81 D 9.51 5.06 0.00 2.81 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 82 I 8.62 4.89 1.95 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.57 0.92 0.00 0.00 83 V 9.00 4.32 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 1.00 0.00 0.00 84 G 8.77 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.90 4.04 4.09 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 0.00 0.00 1.12 0.00 0.00 86 A 8.30 5.61 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 87 A 9.09 5.10 0.79 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 88 S 9.18 5.31 0.00 3.92 3.71 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 89 A 9.21 5.32 1.17 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 0.00 0.00 90 R 9.14 5.03 0.00 2.08 1.86 0.00 3.23 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.06 0.00 91 I 8.87 5.12 2.20 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.66 1.14 0.00 0.00 92 D 9.14 5.54 0.00 2.70 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 93 T 9.10 5.21 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 1.39 0.00 0.00 94 D 9.27 5.00 0.00 2.56 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 95 D 8.39 4.01 0.00 2.93 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 96 I 7.74 4.10 1.96 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.47 1.28 0.00 0.00 97 S 9.41 3.59 0.00 2.95 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.12 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 99 F 7.71 4.81 0.00 2.58 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 0.00 0.00 0.00 0.00 100 R 8.13 4.91 0.00 1.77 1.71 0.00 3.19 0.00 0.00 3.29 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 101 F 9.27 5.74 0.00 3.12 2.91 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 0.00 102 T 8.95 5.05 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 0.96 0.00 0.00 103 D 9.14 5.33 0.00 2.72 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 0.00 0.00 0.00 104 F 8.72 5.42 0.00 2.90 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 0.00 105 F 9.53 5.34 0.00 2.93 2.86 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 0.00 0.00 0.00 106 N 9.24 5.50 0.00 2.70 2.79 0.00 0.00 6.58 7.02 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 0.00 107 L 9.33 5.47 0.00 1.66 1.79 0.84 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.93 5.40 0.00 1.59 1.47 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.34 3.79 0.00 0.79 0.94 0.00 1.13 0.00 0.00 1.20 0.00 0.00 2.54 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.76 0.21 7.81 110 V 8.43 4.07 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 0.90 0.00 0.00 0.93 0.00 0.00 111 E 9.71 3.87 0.00 2.07 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 2.18 2.24 0.00 112 G 8.38 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 0.00 0.00 0.00 113 K 7.67 4.60 0.00 1.59 1.65 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.51 7.81 114 W 8.82 4.75 0.00 3.11 3.06 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 0.00 115 T 8.99 4.81 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 1.27 0.00 0.00 116 V 8.82 4.38 1.57 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 1.23 0.00 0.00 0.54 0.00 0.00 117 V 8.97 4.40 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 0.75 0.00 0.00 1.05 0.00 0.00 118 S 8.01 5.14 0.00 3.93 3.72 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 0.00 119 K 9.23 4.84 0.00 1.66 1.55 0.00 1.37 0.00 0.00 1.60 0.00 0.00 2.72 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.13 0.58 7.81 120 I 8.83 5.75 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 1.00 0.79 1.00 0.00 0.00 121 Y 7.83 5.29 0.00 2.95 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 0.00 122 H 9.56 4.97 0.00 3.26 3.23 0.00 5.76 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 8.45 4.92 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 1.26 0.00 0.00 124 H 9.10 4.63 0.00 3.09 3.25 0.00 5.66 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.43 0.00 2.20 2.07 0.00 3.91 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 2.03 2.01 0.00 * Residues marked with a * may have inaccurate shift predictions.