NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.1963 8.3149 119.9966 56.2700 33.8612 175.1714 3 I 3.7130 8.0702 120.7251 60.2872 37.0744 172.6857 4 E 4.3209 8.6901 128.1957 59.1178 31.5942 175.3059 5 H 5.3123 7.6309 111.5280 54.7079 31.6106 173.2008 6 V 4.3294 8.6104 118.1207 59.7572 33.9422 174.4933 7 A 5.0162 8.2828 124.9718 50.0589 21.6749 175.5141 8 L 4.5552 8.3730 121.8600 52.9013 44.8812 176.1188 9 W 4.6213 8.8655 126.8200 56.7981 29.6212 175.7323 10 T 4.9068 8.8481 118.4306 60.6029 70.0766 173.0257 11 T 4.2445 9.0698 120.7458 63.1049 68.0479 174.2704 12 N 4.8742 8.4781 120.5905 50.6883 38.8877 173.0302 13 L 4.2117 8.5635 125.1726 57.8735 42.8173 178.3902 14 E 4.1635 8.3754 117.5383 59.5865 29.6618 179.2522 15 Q 3.9835 8.0352 115.4598 57.1020 29.0904 177.7124 *17 K 4.2957 8.2082 118.6521 56.0720 33.7905 177.7576 18 Q 4.1563 8.0947 116.4881 58.3078 28.3366 178.0134 19 F 4.2825 8.1696 123.7712 61.8524 39.7265 176.7311 20 Y 4.2013 8.3989 115.8479 60.8842 37.4850 178.7891 21 V 3.8320 7.7190 120.0659 65.6636 31.7400 178.0199 22 T 3.7041 7.5508 114.1388 66.6937 68.3316 175.7599 23 Y 3.9832 7.4000 116.6652 58.8767 38.0037 176.5889 24 F 4.7615 7.7430 116.1257 56.6543 39.4649 176.5355 25 G 4.3335 8.3384 106.8275 46.1436 0.0000 174.1318 26 A 4.0415 7.4434 121.0647 51.9869 19.8503 177.3079 27 T 4.7252 8.3828 116.2811 61.6601 71.2733 173.6301 28 A 4.9627 8.5079 127.7961 51.1258 20.6441 177.0076 29 N 4.9418 8.2318 118.0211 51.9948 40.3603 174.3591 30 D 4.7330 8.7073 117.9837 53.9505 41.8750 175.8799 31 L 3.5004 8.5633 124.7956 55.8234 42.6024 175.4644 32 Y 4.8590 8.8077 127.4621 56.2666 41.2393 173.8162 33 E 4.7125 7.3380 124.4512 54.7387 33.3529 174.4434 34 N 4.6858 8.9896 124.9384 50.9586 39.6967 174.3145 35 K 3.8854 8.5838 124.0528 59.4753 32.7813 179.3878 36 T 3.8594 8.1843 113.8590 66.3956 68.3239 175.0134 37 K 4.3198 8.1016 116.7274 55.5118 32.7866 176.5242 38 G 3.9326 7.8783 107.2254 46.4997 0.0000 172.6399 39 F 5.3902 7.9958 121.0978 56.3985 41.4475 174.2397 40 N 5.4204 8.1920 122.3723 51.8019 42.5318 173.7582 41 S 4.6797 8.3106 114.6118 57.7097 66.9709 172.7957 42 Y 5.3219 8.8663 118.0496 56.3913 42.6542 174.2472 43 F 5.0588 10.0651 120.7117 55.7691 41.9178 174.4004 44 L 5.0643 9.1477 124.1803 53.2035 43.8136 175.6644 45 S 4.8999 8.9146 120.0962 57.0590 65.5457 174.0944 46 F 5.1777 8.3432 122.3601 56.3291 40.9468 174.8589 47 E 4.0983 9.2765 122.2394 59.9563 29.4837 177.0420 48 D 4.4381 8.0355 114.0391 53.5724 42.0094 174.9932 49 G 3.7576 8.6730 105.6420 44.4887 0.0000 172.7888 50 A 4.4063 8.4490 120.9071 52.6950 19.2655 178.0818 51 R 4.8635 8.8178 119.4415 54.8326 33.5921 174.9397 52 L 5.0108 8.7691 122.7019 53.4520 44.4807 174.6222 53 E 4.3067 8.8992 128.8478 54.6080 30.6699 174.6290 54 I 4.5983 7.9712 121.5364 59.2640 40.4490 174.9906 *56 S 5.0785 8.3653 117.5829 58.7639 64.7995 172.5549 57 R 5.7585 8.5914 116.3024 55.2676 32.0607 175.4678 58 T 3.9303 8.9608 112.4710 65.1722 68.2970 174.7022 59 D 4.2842 8.0991 119.8732 54.9598 40.0546 176.3559 60 V 3.5152 7.4265 119.5812 62.3809 30.2117 174.7366 61 T 4.4218 8.0425 120.5209 62.0073 69.5025 174.7183 62 G 3.7459 7.9579 109.4231 45.1708 0.0000 172.6810 63 K 4.5735 8.3752 122.0702 54.5764 34.0978 175.9344 64 T 4.4650 8.1896 112.8185 60.1102 69.7390 174.3613 65 T 3.9733 8.2811 116.7379 63.8211 70.3200 176.3110 66 G 4.0313 7.3826 110.1679 44.7010 0.0000 175.3367 67 E 4.5514 9.1010 128.3695 54.3606 30.2763 174.4091 68 N 5.1308 8.3059 120.0407 50.5190 42.5758 174.3735 69 L 3.8893 8.2946 119.6367 55.6782 42.2112 176.5340 70 G 3.4953 8.5248 107.6244 43.4261 0.0000 172.7813 71 W 4.2879 8.2739 119.7599 57.2746 29.4898 175.5990 72 A 4.4043 8.8016 126.6346 53.6641 19.2253 175.9974 73 H 4.8567 7.3036 107.1031 55.2761 31.2431 172.2575 74 I 4.7931 8.1055 109.6804 59.0583 41.1218 174.1598 75 A 5.1173 8.5311 124.4902 50.3326 21.2676 175.4227 76 I 4.3250 8.4110 124.1429 59.6117 39.1998 175.3455 77 S 5.1989 8.6997 122.0675 57.8172 64.2883 174.0568 78 T 4.4207 9.3251 111.2063 61.5062 69.3419 173.9399 79 G 4.1593 9.6092 109.8888 45.9618 0.0000 174.0083 80 T 4.7903 7.4220 108.5161 58.8013 73.3081 174.8545 81 K 3.9331 8.7578 121.8224 59.7535 32.2198 178.1747 82 E 3.9163 8.3213 118.8580 59.5106 29.4474 178.5534 83 A 4.0404 8.1128 120.5837 55.0235 18.3239 179.8523 84 V 3.6631 7.7048 116.9219 66.2066 31.7261 178.0243 85 D 4.4202 8.2380 118.6100 57.4677 40.8187 178.5517 86 E 3.9618 8.3489 119.0447 59.5250 29.5494 179.3548 87 L 3.9806 8.0193 120.2308 58.4251 42.1456 179.0431 88 T 3.9106 8.2430 115.9737 66.6638 68.3535 176.4589 89 E 4.0568 8.2439 120.4756 58.9081 29.5596 179.2139 90 K 4.0264 8.0424 119.7656 59.4650 32.2919 178.9709 91 L 3.9500 8.0283 119.3493 57.5614 41.4915 179.3243 92 R 3.9144 8.1443 118.6500 59.8195 29.8990 178.7016 93 Q 4.2759 8.0263 116.0763 58.5891 28.7065 177.6422 94 D 4.8191 7.9347 117.7090 53.9903 41.0738 177.1851 95 G 3.7511 8.3102 108.1966 45.2733 0.0000 173.9482 96 F 4.4992 7.8665 117.4744 56.4384 40.5357 175.2217 97 A 4.1832 8.6241 122.9877 52.0161 19.5572 176.8410 98 I 4.1470 8.3966 124.4698 59.9667 36.4627 175.5434 99 A 4.1461 8.6490 129.9246 54.0942 19.3755 177.7574 100 G 4.0453 8.5269 103.3318 44.5067 0.0000 172.7538 101 E 4.4962 8.8642 125.2684 55.4439 30.4386 175.2413 102 P 4.2449 0.0000 0.0000 62.7106 32.3951 173.6482 103 R 3.9337 7.7261 125.3448 56.7524 34.6908 177.7926 *105 T 4.3574 8.3966 106.9773 60.8583 69.6334 174.8383 106 G 3.6750 8.6213 110.6299 48.0393 0.0000 174.0961 107 D 4.7680 8.2564 117.9016 53.0478 39.5952 176.3830 108 G 3.8742 8.2135 106.7686 47.1790 0.0000 173.1553 109 Y 4.6596 8.0599 116.0261 55.8059 41.1004 175.1590 110 Y 4.2824 7.1140 124.7939 56.2412 40.0467 173.8779 111 E 5.1852 8.2956 124.2275 55.4390 33.8836 173.8121 112 S 4.9709 8.8839 114.4905 56.4235 67.2032 172.9233 113 V 4.8344 8.6181 119.4903 61.3462 34.1719 174.6904 114 V 5.0169 8.8004 120.4670 59.5686 35.6769 174.3520 115 L 5.3285 8.1528 122.4520 52.8526 43.4890 176.8131 116 D 3.8838 8.7688 123.7667 51.7929 40.1894 175.2843 117 P 4.3808 0.0000 0.0000 65.2024 31.1962 177.3387 118 E 4.4649 8.4351 115.2262 55.9435 29.5950 176.7565 119 G 3.9757 8.5262 107.5126 45.1171 0.0000 174.0051 120 N 4.6616 8.5214 118.3223 52.9767 40.1735 174.7795 121 R 4.6159 8.6135 122.0027 56.2429 31.9313 175.5375 122 I 4.7397 8.6522 123.5170 59.6537 41.3538 174.1198 123 E 4.6838 9.0678 127.3779 55.5904 31.1581 175.5943 124 I 4.7708 9.0480 126.6606 60.4896 38.3929 175.2221 125 T 5.1968 8.8821 124.9703 61.5281 71.5011 175.4390 126 W 4.7462 8.9821 119.7464 57.0390 28.5994 176.1458 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 2 K 8.31 4.20 0.00 1.88 1.90 0.00 1.54 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.47 7.81 3 I 8.07 3.71 1.85 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 1.27 0.64 0.86 0.00 0.00 4 E 8.69 4.32 0.00 1.99 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 2.36 2.23 0.00 5 H 7.63 5.31 0.00 3.38 3.35 0.00 5.52 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.61 4.33 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 0.82 0.00 0.00 0.67 0.00 0.00 7 A 8.28 5.02 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 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.37 4.56 0.00 1.41 1.36 0.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 9 W 8.87 4.62 0.00 3.26 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 10 T 8.85 4.91 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 1.27 0.00 0.00 11 T 9.07 4.24 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 1.35 0.00 0.00 12 N 8.48 4.87 0.00 2.68 2.94 0.00 0.00 7.17 7.33 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 13 L 8.56 4.21 0.00 1.66 1.78 1.01 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.38 4.16 0.00 2.10 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 2.51 2.32 0.00 15 Q 8.04 3.98 0.00 2.27 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.39 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 *17 K 8.21 4.30 0.00 1.66 1.85 0.00 0.97 0.00 0.00 0.61 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.03 7.81 18 Q 8.09 4.16 0.00 2.35 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.60 0.00 0.00 0.00 0.00 0.00 2.74 2.47 0.00 19 F 8.17 4.28 0.00 3.28 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 20 Y 8.40 4.20 0.00 3.24 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 21 V 7.72 3.83 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 0.96 0.00 0.00 0.98 0.00 0.00 22 T 7.55 3.70 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 0.15 0.00 0.00 23 Y 7.40 3.98 0.00 1.73 1.91 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 24 F 7.74 4.76 0.00 3.57 3.32 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 25 G 8.34 4.33 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 0.00 26 A 7.44 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.38 4.73 4.16 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 1.18 0.00 0.00 28 A 8.51 4.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 N 8.23 4.94 0.00 2.85 2.96 0.00 0.00 6.97 7.33 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 30 D 8.71 4.73 0.00 2.77 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 31 L 8.56 3.50 0.00 1.38 1.49 0.24 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.81 4.86 0.00 3.13 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 33 E 7.34 4.71 0.00 1.76 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 2.07 2.34 0.00 34 N 8.99 4.69 0.00 2.76 2.76 0.00 0.00 6.98 5.51 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 35 K 8.58 3.89 0.00 1.93 1.85 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.54 1.06 7.81 36 T 8.18 3.86 4.38 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 1.22 0.00 0.00 37 K 8.10 4.32 0.00 1.84 1.91 0.00 1.91 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.39 7.81 38 G 7.88 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 39 F 8.00 5.39 0.00 3.24 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 40 N 8.19 5.42 0.00 2.36 2.39 0.00 0.00 6.80 7.57 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 41 S 8.31 4.68 0.00 3.77 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 42 Y 8.87 5.32 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 43 F 10.07 5.06 0.00 2.95 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 44 L 9.15 5.06 0.00 1.32 1.24 0.82 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.91 4.90 0.00 3.64 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 46 F 8.34 5.18 0.00 3.05 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 47 E 9.28 4.10 0.00 2.02 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 2.33 2.35 0.00 48 D 8.04 4.44 0.00 2.77 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 49 G 8.67 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.45 4.41 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 51 R 8.82 4.86 0.00 2.01 2.16 0.00 3.18 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 52 L 8.77 5.01 0.00 1.86 1.52 0.78 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.90 4.31 0.00 1.16 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 1.67 1.47 0.00 54 I 7.97 4.60 1.84 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.74 0.74 0.00 0.00 *56 S 8.37 5.08 0.00 4.06 4.16 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 57 R 8.59 5.76 0.00 2.05 2.37 0.00 3.22 0.00 0.00 3.60 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.42 0.00 58 T 8.96 3.93 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 1.21 0.00 0.00 59 D 8.10 4.28 0.00 2.72 2.79 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 60 V 7.43 3.52 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 0.03 0.00 0.00 -0.34 0.00 0.00 61 T 8.04 4.42 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 62 G 7.96 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 63 K 8.38 4.57 0.00 2.01 1.74 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.36 0.97 7.81 64 T 8.19 4.46 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 1.25 0.00 0.00 65 T 8.28 3.97 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 66 G 7.38 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 9.10 4.55 0.00 1.94 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 2.23 2.30 0.00 68 N 8.31 5.13 0.00 2.66 2.67 0.00 0.00 7.19 7.85 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 69 L 8.29 3.89 0.00 1.58 1.53 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.52 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.27 4.29 0.00 3.35 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 72 A 8.80 4.40 1.29 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 0.00 0.00 73 H 7.30 4.86 0.00 3.27 3.29 0.00 5.47 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 I 8.11 4.79 1.78 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.70 0.84 0.00 0.00 75 A 8.53 5.12 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 76 I 8.41 4.33 1.67 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.16 0.94 0.00 0.00 77 S 8.70 5.20 0.00 3.97 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 78 T 9.33 4.42 4.34 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 1.36 0.00 0.00 79 G 9.61 4.16 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 0.00 0.00 0.00 80 T 7.42 4.79 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 1.22 0.00 0.00 81 K 8.76 3.93 0.00 1.77 1.74 0.00 1.40 0.00 0.00 1.53 0.00 0.00 2.78 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.61 0.21 7.81 82 E 8.32 3.92 0.00 2.08 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 2.40 2.41 0.00 83 A 8.11 4.04 1.44 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 0.00 0.00 0.00 84 V 7.70 3.66 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 1.19 0.00 0.00 1.26 0.00 0.00 85 D 8.24 4.42 0.00 2.96 2.76 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 0.00 0.00 0.00 0.00 86 E 8.35 3.96 0.00 2.04 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 2.49 0.00 87 L 8.02 3.98 0.00 1.83 1.74 0.83 0.68 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 88 T 8.24 3.91 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 1.22 0.00 0.00 89 E 8.24 4.06 0.00 2.25 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 0.00 2.46 2.48 0.00 90 K 8.04 4.03 0.00 2.02 1.98 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.54 7.81 91 L 8.03 3.95 0.00 1.84 1.66 0.74 -0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.14 3.91 0.00 1.91 2.15 0.00 3.11 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 93 Q 8.03 4.28 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.86 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 94 D 7.93 4.82 0.00 3.05 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 95 G 8.31 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 96 F 7.87 4.50 0.00 3.05 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 97 A 8.62 4.18 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 98 I 8.40 4.15 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.52 0.96 0.00 0.00 99 A 8.65 4.15 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 0.00 100 G 8.53 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 0.00 101 E 8.86 4.50 0.00 1.82 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 2.29 2.27 0.00 102 P 0.00 4.24 0.00 1.92 1.90 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 103 R 7.73 3.93 0.00 1.84 1.06 0.00 2.73 0.00 0.00 3.13 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.28 0.00 *105 T 8.40 4.36 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 1.16 0.00 0.00 106 G 8.62 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 0.00 107 D 8.26 4.77 0.00 2.94 2.84 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 0.00 108 G 8.21 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 0.00 0.00 0.00 109 Y 8.06 4.66 0.00 2.82 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 0.00 110 Y 7.11 4.28 0.00 1.50 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 0.00 111 E 8.30 5.19 0.00 2.06 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 2.10 2.12 0.00 112 S 8.88 4.97 0.00 3.98 3.90 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 0.00 113 V 8.62 4.83 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 1.02 0.00 0.00 0.85 0.00 0.00 114 V 8.80 5.02 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 1.05 0.00 0.00 115 L 8.15 5.33 0.00 1.57 1.58 0.93 1.09 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 0.00 116 D 8.77 3.88 0.00 2.25 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 0.00 117 P 0.00 4.38 0.00 2.00 2.21 0.00 2.95 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.94 0.00 118 E 8.44 4.46 0.00 1.96 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 2.24 2.29 0.00 119 G 8.53 3.98 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 0.00 0.00 0.00 120 N 8.52 4.66 0.00 3.00 2.81 0.00 0.00 6.99 8.35 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 0.00 121 R 8.61 4.62 0.00 1.82 1.85 0.00 3.08 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 122 I 8.65 4.74 1.92 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.86 0.75 0.00 0.00 123 E 9.07 4.68 0.00 1.87 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 2.13 2.00 0.00 124 I 9.05 4.77 1.95 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.78 1.07 0.00 0.00 125 T 8.88 5.20 4.54 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 1.60 0.00 0.00 126 W 8.98 4.75 0.00 3.47 3.27 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 * Residues marked with a * may have inaccurate shift predictions.