NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6925 8.2833 119.2049 53.3612 40.8758 175.7969 3 D 4.4438 7.9146 117.1574 55.7856 40.9952 176.5981 4 K 4.0981 8.7152 120.1850 58.7264 32.7778 178.8021 5 K 4.0527 7.9430 118.5745 59.3166 32.0834 179.3025 6 I 3.8095 7.4882 118.9403 64.0999 37.1033 178.0727 7 E 3.9637 7.9638 120.2600 59.0211 29.3776 178.6209 8 L 3.9532 7.9135 120.3158 58.2700 42.2385 178.6311 9 L 4.0152 7.9825 118.8647 58.3803 41.3713 179.8703 10 T 3.9220 7.8048 114.1709 66.9443 68.7070 176.7114 11 T 4.0975 7.9213 117.2962 66.7541 68.6046 175.9887 12 Y 4.1978 8.9415 122.6975 61.2105 38.8091 178.6021 13 L 4.2220 8.4492 119.6478 57.5051 41.4939 179.1073 14 S 4.4519 7.9277 112.6092 60.1251 63.2837 175.5819 15 L 4.2861 8.1145 122.9889 55.7456 41.4823 175.7775 16 Y 5.0543 7.4111 115.7514 56.5100 40.5895 174.9704 17 I 4.5492 8.4158 119.7383 59.2211 41.8384 173.8243 18 D 4.9431 8.6600 128.3621 54.3056 41.9852 176.8417 19 H 4.4325 9.0830 120.6049 58.8420 28.5980 177.3438 20 H 4.0530 8.0431 120.9388 59.5714 29.5986 177.2012 21 T 3.8909 7.6725 117.6866 66.3374 67.9948 177.1000 22 V 3.6700 7.6537 119.1791 65.6390 31.7980 177.4232 23 L 4.2637 8.2244 119.1232 58.4873 42.4010 178.0898 24 A 4.2254 8.0106 120.2898 55.6522 18.0553 179.9465 25 D 4.4978 8.0691 114.4145 54.6639 42.0356 178.0322 *27 Q 4.3710 7.9846 113.7046 55.1810 30.2142 174.8239 28 N 4.6963 8.1063 114.0675 52.4044 39.5539 174.2961 29 A 3.9136 8.0661 119.9181 53.1527 16.3663 179.0728 30 T 3.8886 7.7302 117.0422 66.0931 68.6586 175.0031 31 G 4.0002 7.1868 109.8737 46.3410 0.0000 173.9694 32 K 4.1593 8.3123 117.3285 57.1374 34.0026 175.6969 33 Y 5.6253 7.6085 116.9003 55.4805 42.3708 175.6239 34 V 4.2693 8.0971 119.4809 61.2061 34.1655 173.6810 35 V 4.0465 8.4575 128.5530 62.8918 32.8718 174.2612 36 L 5.0547 9.1354 128.6040 52.9354 44.1379 175.2921 37 D 3.3700 8.5603 125.2943 53.3979 41.1631 176.0228 38 V 4.0301 7.7563 119.3107 60.9298 32.7431 176.7625 39 R 4.4184 7.1885 119.8904 56.3133 30.2465 176.4543 40 N 4.6112 8.7331 117.1780 53.2296 39.3390 175.4901 41 A 4.2402 8.0846 121.5076 51.5682 18.8901 175.5375 42 P 4.3148 0.0000 0.0000 63.8293 31.7916 177.8524 43 A 5.2469 7.5457 132.7098 52.9119 18.4273 178.1110 44 Q 4.1658 7.9069 114.7003 57.9905 29.5958 176.9627 45 V 3.9778 7.8043 116.5964 65.7538 32.1021 177.2294 46 K 3.9535 8.2089 117.9007 59.4439 32.0462 176.9047 47 K 4.0824 7.9053 120.4636 57.6467 31.0796 177.0744 48 D 5.4319 7.5419 116.4005 52.9879 42.8649 174.8067 49 Q 4.8608 8.2107 121.4316 55.8052 32.0749 172.8100 50 I 3.8800 7.2088 126.2717 61.3019 38.1954 175.5495 51 K 3.8661 8.6030 128.2090 58.3838 32.2648 177.0571 52 G 3.9086 8.6123 112.7531 45.1301 0.0000 173.3493 53 A 4.4016 7.7376 121.0984 52.1135 19.6683 177.4223 54 I 4.4330 8.3571 119.6550 59.1373 39.6779 175.6785 55 A 4.3258 8.5151 128.9013 51.3725 19.4809 174.7962 *57 P 4.3017 0.0000 0.0000 61.9873 32.5889 178.0564 58 A 3.9926 8.4047 124.8825 54.9941 18.1959 179.9850 59 K 4.0677 7.7071 115.8028 59.6436 33.1241 178.2959 60 D 4.6731 7.7217 117.1613 53.9851 41.4333 177.9900 61 L 3.8074 7.7760 122.5573 58.0248 41.8873 178.5790 62 A 4.0160 7.8683 119.2924 55.0201 18.3565 178.6686 63 T 4.1493 7.7079 110.0456 63.9720 68.0475 175.8748 64 R 4.4591 7.7546 118.5105 55.8132 30.3476 177.5380 65 I 3.6252 7.2458 117.8104 62.2879 37.8542 177.1233 66 G 4.0248 7.8063 106.9868 46.9769 0.0000 174.1292 67 E 4.3481 7.9569 118.6325 56.3864 30.1516 176.0950 68 L 4.6868 7.0912 117.5569 53.0043 43.8822 175.2281 69 D 4.8933 9.3136 121.5020 52.5256 41.8479 175.6002 70 P 3.8772 0.0000 0.0000 63.5948 31.3028 176.4758 71 A 4.4309 7.9679 121.8260 53.6781 20.1321 178.3476 72 K 4.2347 7.7641 112.9645 56.5685 33.4887 176.8434 73 T 4.6618 7.9380 117.9217 62.9348 70.2591 173.7542 74 Y 5.1447 9.0154 124.1080 56.4988 40.9945 175.2260 75 V 4.8747 8.4132 121.9648 61.5299 34.4564 174.9799 76 V 4.8907 8.5013 122.1379 60.8015 33.8606 174.9360 77 Y 5.0247 8.2410 119.5286 56.2258 41.4223 173.6080 78 D 5.1510 8.3670 120.3269 53.2147 44.8835 175.3611 79 W 4.3244 9.3455 115.4013 60.0003 29.1851 178.4543 80 T 4.5493 8.4747 105.6551 60.5967 69.8751 174.8030 81 G 4.0614 8.8659 109.6188 45.4342 0.0000 173.8836 82 G 3.8882 7.7244 107.1078 45.9701 0.0000 173.9727 83 T 4.5425 7.6205 116.3563 62.4333 70.9268 174.6195 84 T 4.4756 8.1422 110.2545 61.9710 68.8957 176.3646 85 L 4.0382 7.8753 123.4162 58.2576 41.7114 179.3047 86 G 3.6585 7.9325 106.1788 47.3653 0.0000 175.7084 87 K 3.9710 7.9438 120.9229 59.0963 32.1041 179.5978 88 T 3.8275 8.2719 116.3452 66.6053 68.4248 176.7394 89 A 3.9604 8.1454 122.7221 54.8546 18.2181 179.4338 90 L 3.8701 7.7742 119.1974 57.8509 41.9559 178.9245 91 L 3.8932 7.7897 120.6145 57.9487 41.9292 178.9861 92 V 3.5481 7.6108 118.0966 66.0129 31.0379 178.0813 93 L 3.9739 7.9029 118.4217 57.9447 41.4089 179.5511 94 L 4.2916 7.9721 117.3823 57.5366 41.4834 179.6103 95 S 4.3044 7.6774 114.6380 61.3306 63.0719 175.9028 96 A 4.2784 7.6313 120.8791 52.7347 18.2210 176.9306 97 G 4.1034 8.1329 106.1438 45.9458 0.0000 175.0609 98 F 3.9096 7.7855 116.2373 57.4877 39.5719 174.3089 99 E 4.5018 8.8865 125.1951 55.4574 30.9736 174.7108 100 A 5.1710 7.9179 126.5437 51.5251 22.9064 173.9814 101 Y 4.8764 8.7890 115.4717 57.0751 43.1142 173.6338 102 E 4.9435 8.6042 121.6503 54.1318 32.3241 174.7435 103 L 4.3441 9.0496 129.3135 54.7735 43.1174 176.2235 104 A 4.4451 8.7706 130.6619 53.5681 19.0070 177.8542 105 G 3.9056 9.1047 109.6725 44.5822 0.0000 174.4650 106 A 3.4376 7.8136 122.3146 52.9002 18.4358 177.3497 107 L 3.9462 8.1482 111.9909 58.0731 42.0705 180.0273 108 E 4.0946 8.2440 119.4083 59.4005 29.4455 179.1270 109 G 3.6307 8.4504 104.7231 47.3718 0.0000 175.0872 110 W 4.1263 8.1232 130.3796 60.3592 30.4942 178.2769 111 K 4.2763 8.2499 117.5634 58.7874 31.5958 180.3315 112 G 3.7521 7.6329 105.6788 44.2985 0.0000 173.9327 *114 Q 4.1367 7.9445 115.4135 55.2796 29.8106 174.5632 115 L 4.5183 7.1683 118.0935 52.0558 44.4717 176.7314 116 P 4.4133 0.0000 0.0000 64.0282 31.7432 175.6266 117 V 5.1546 8.4607 116.6163 59.6825 36.2579 173.8765 118 E 4.9088 9.6895 122.1636 54.7543 33.5084 174.2897 119 T 4.7792 7.9867 109.6545 60.8679 70.0730 174.0545 120 L 4.2144 8.6532 128.5865 55.8665 43.0541 173.6152 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 N 8.28 4.69 0.00 2.82 2.88 0.00 0.00 7.09 7.61 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 3 D 7.91 4.44 0.00 2.89 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 4 K 8.72 4.10 0.00 1.80 1.85 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.53 7.81 5 K 7.94 4.05 0.00 1.79 1.84 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.52 7.81 6 I 7.49 3.81 1.88 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 1.42 1.07 0.93 0.00 0.00 7 E 7.96 3.96 0.00 2.21 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 2.33 2.39 0.00 8 L 7.91 3.95 0.00 1.83 1.79 0.97 0.60 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 9 L 7.98 4.02 0.00 1.96 1.77 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 10 T 7.80 3.92 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 1.26 0.00 0.00 11 T 7.92 4.10 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 1.28 0.00 0.00 12 Y 8.94 4.20 0.00 3.11 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 13 L 8.45 4.22 0.00 1.90 1.78 1.01 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.93 4.45 0.00 4.15 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 15 L 8.11 4.29 0.00 1.57 1.48 0.79 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.41 5.05 0.00 2.81 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 17 I 8.42 4.55 1.56 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.12 0.85 0.00 0.00 18 D 8.66 4.94 0.00 2.79 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 19 H 9.08 4.43 0.00 3.58 3.72 0.00 5.52 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 H 8.04 4.05 0.00 3.04 3.39 0.00 5.86 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 21 T 7.67 3.89 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 1.31 0.00 0.00 22 V 7.65 3.67 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 0.89 0.00 0.00 0.70 0.00 0.00 23 L 8.22 4.26 0.00 1.83 1.65 0.70 1.16 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 24 A 8.01 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 25 D 8.07 4.50 0.00 2.87 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 *27 Q 7.98 4.37 0.00 2.24 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.85 6.59 0.00 0.00 0.00 0.00 0.00 2.59 2.40 0.00 28 N 8.11 4.70 0.00 2.88 2.86 0.00 0.00 7.03 6.92 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 29 A 8.07 3.91 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 30 T 7.73 3.89 4.50 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 1.15 0.00 0.00 31 G 7.19 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 32 K 8.31 4.16 0.00 1.41 1.79 0.00 0.97 0.00 0.00 1.28 0.00 0.00 2.76 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 0.21 7.81 33 Y 7.61 5.63 0.00 2.96 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 34 V 8.10 4.27 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 1.18 0.00 0.00 0.66 0.00 0.00 35 V 8.46 4.05 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 0.86 0.00 0.00 0.81 0.00 0.00 36 L 9.14 5.05 0.00 1.52 1.45 0.71 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.56 3.37 0.00 2.56 2.39 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 38 V 7.76 4.03 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 0.56 0.00 0.00 0.85 0.00 0.00 39 R 7.19 4.42 0.00 1.54 1.86 0.00 2.21 0.00 0.00 2.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.18 0.00 40 N 8.73 4.61 0.00 2.75 2.88 0.00 0.00 6.93 7.35 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 41 A 8.08 4.24 1.55 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 42 P 0.00 4.31 0.00 2.21 2.21 0.00 3.99 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 43 A 7.55 5.25 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 44 Q 7.91 4.17 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 45 V 7.80 3.98 2.25 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 1.05 0.00 0.00 0.98 0.00 0.00 46 K 8.21 3.95 0.00 1.76 1.69 0.00 1.82 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.52 7.81 47 K 7.91 4.08 0.00 2.04 1.94 0.00 1.88 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.54 7.81 48 D 7.54 5.43 0.00 2.56 2.61 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 49 Q 8.21 4.86 0.00 2.11 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.03 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 50 I 7.21 3.88 1.21 0.00 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.03 0.00 0.00 51 K 8.60 3.87 0.00 1.79 1.83 0.00 1.88 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.64 7.81 52 G 8.61 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 0.00 0.00 0.00 53 A 7.74 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 54 I 8.36 4.43 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 1.17 0.70 0.89 0.00 0.00 55 A 8.52 4.33 1.16 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 *57 P 0.00 4.30 0.00 2.30 2.12 0.00 3.55 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 1.96 2.03 0.00 58 A 8.40 3.99 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 59 K 7.71 4.07 0.00 1.94 1.93 0.00 1.58 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.45 7.81 60 D 7.72 4.67 0.00 2.65 2.68 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 61 L 7.78 3.81 0.00 1.82 1.55 0.75 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.87 4.02 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 63 T 7.71 4.15 4.21 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 1.19 0.00 0.00 64 R 7.75 4.46 0.00 1.80 2.13 0.00 3.22 0.00 0.00 3.05 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.80 0.00 65 I 7.25 3.63 1.88 0.00 0.00 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 0.77 0.79 0.93 0.00 0.00 66 G 7.81 4.02 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 0.00 67 E 7.96 4.35 0.00 1.98 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 2.27 2.32 0.00 68 L 7.09 4.69 0.00 1.29 1.30 -0.23 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 69 D 9.31 4.89 0.00 2.79 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 70 P 0.00 3.88 0.00 1.91 1.56 0.00 3.74 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 71 A 7.97 4.43 1.38 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 0.00 0.00 0.00 72 K 7.76 4.23 0.00 1.36 1.42 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.42 7.81 73 T 7.94 4.66 4.63 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 1.65 0.00 0.00 74 Y 9.02 5.14 0.00 2.92 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 75 V 8.41 4.87 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 0.97 0.00 0.00 0.77 0.00 0.00 76 V 8.50 4.89 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 0.58 0.00 0.00 0.87 0.00 0.00 77 Y 8.24 5.02 0.00 2.93 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 78 D 8.37 5.15 0.00 2.81 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 79 W 9.35 4.32 0.00 3.36 3.31 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 0.00 80 T 8.47 4.55 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 1.43 0.00 0.00 81 G 8.87 4.06 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 0.00 0.00 0.00 82 G 7.72 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 0.00 0.00 0.00 83 T 7.62 4.54 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 1.26 0.00 0.00 84 T 8.14 4.48 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 1.25 0.00 0.00 85 L 7.88 4.04 0.00 1.78 1.74 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 86 G 7.93 3.66 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 0.00 0.00 0.00 87 K 7.94 3.97 0.00 1.81 1.86 0.00 1.76 0.00 0.00 1.89 0.00 0.00 3.26 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.51 7.81 88 T 8.27 3.83 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 1.18 0.00 0.00 89 A 8.15 3.96 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 90 L 7.77 3.87 0.00 1.98 1.62 0.84 0.34 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 91 L 7.79 3.89 0.00 1.80 1.79 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 92 V 7.61 3.55 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 0.88 0.00 0.00 0.96 0.00 0.00 93 L 7.90 3.97 0.00 1.67 1.69 0.79 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.97 4.29 0.00 1.67 1.72 0.86 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 95 S 7.68 4.30 0.00 3.99 3.92 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 96 A 7.63 4.28 1.55 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 97 G 8.13 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 98 F 7.79 3.91 0.00 3.20 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 99 E 8.89 4.50 0.00 2.06 1.85 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 2.10 2.27 0.00 100 A 7.92 5.17 1.19 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 0.00 0.00 101 Y 8.79 4.88 0.00 2.84 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 0.00 102 E 8.60 4.94 0.00 1.71 1.12 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 2.19 2.34 0.00 103 L 9.05 4.34 0.00 1.77 1.61 1.05 0.85 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 0.00 104 A 8.77 4.45 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 0.00 105 G 9.10 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 0.00 0.00 0.00 106 A 7.81 3.44 1.54 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 0.00 0.00 107 L 8.15 3.95 0.00 1.98 1.74 0.86 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 108 E 8.24 4.09 0.00 2.45 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 0.00 2.39 2.45 0.00 109 G 8.45 3.63 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 0.00 0.00 0.00 110 W 8.12 4.13 0.00 3.48 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 0.00 111 K 8.25 4.28 0.00 1.99 1.91 0.00 1.82 0.00 0.00 1.79 0.00 0.00 3.20 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.82 7.81 112 G 7.63 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 *114 Q 7.94 4.14 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.69 6.82 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 115 L 7.17 4.52 0.00 0.27 0.82 -0.73 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 116 P 0.00 4.41 0.00 2.23 2.29 0.00 3.54 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 2.39 2.13 0.00 117 V 8.46 5.15 2.20 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 0.99 0.00 0.00 1.00 0.00 0.00 118 E 9.69 4.91 0.00 1.94 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 2.25 2.25 0.00 119 T 7.99 4.78 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 1.23 0.00 0.00 120 L 8.65 4.21 0.00 1.59 1.50 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.