NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3072 8.2649 123.5854 51.2870 19.9370 176.5438 3 R 4.1984 7.8050 120.3985 56.4184 32.7511 175.4617 4 I 4.3470 9.2929 120.5557 61.4354 38.8279 177.0303 5 A 4.7920 9.0525 127.4819 51.6414 23.6758 179.9473 6 G 3.9479 9.7534 111.9481 46.3721 0.0000 175.7816 7 V 4.3805 8.6593 113.8305 62.9727 33.4374 172.2700 8 E 4.3438 8.3983 119.2628 55.2555 29.7940 175.9965 9 I 4.8211 8.0673 124.3255 58.3199 38.4981 173.1739 10 P 4.6089 0.0000 0.0000 63.0680 31.7927 175.4555 11 R 4.3441 8.5327 115.0763 56.5670 33.6648 176.2206 12 N 4.2297 7.6109 114.1208 54.5458 35.9717 174.4799 13 K 4.5582 8.8381 119.3518 54.4064 35.5573 176.2545 14 R 3.8310 8.4221 118.1958 55.7761 29.9721 177.4162 15 V 3.6134 8.4412 116.7904 64.6121 31.3787 178.0963 16 D 4.5188 7.7447 117.3871 55.3541 39.4449 177.5834 17 V 4.2331 8.3860 119.9850 62.2886 33.1135 177.0005 18 A 3.6783 7.6650 120.1432 54.9733 17.9514 179.3529 19 L 3.9557 7.5321 116.4762 57.9648 41.4564 179.0410 20 T 4.3445 7.5026 117.0903 65.9989 68.1174 175.2733 21 Y 4.6439 7.2873 115.6399 58.4199 37.8362 175.1433 22 I 4.7649 7.8491 120.8721 59.4398 40.0376 174.6861 23 Y 3.9089 9.1793 126.6104 60.9786 37.9553 175.3179 24 G 3.6419 8.0655 115.7868 45.1989 0.0000 172.5540 25 I 4.1155 7.8744 121.6008 59.5560 37.9192 174.8523 26 G 4.4008 7.8927 118.1402 44.2360 0.0000 172.6243 27 K 3.7482 8.4991 118.7081 58.2100 32.7248 179.7081 28 A 3.8985 7.4335 121.9923 55.7485 18.6921 179.5592 29 R 4.2011 7.7827 109.5146 56.9535 29.7353 177.9405 30 A 4.2238 7.7463 121.7403 53.2659 18.1861 179.7487 31 K 3.5900 6.8639 117.5149 58.8421 32.7422 178.6939 32 E 4.0136 8.3622 117.4485 58.3936 29.1400 177.5342 33 A 4.5923 8.8815 120.4646 52.9924 19.9141 178.5287 34 L 4.3169 7.8690 118.9380 55.9516 41.8101 178.9512 35 E 4.0215 7.8900 117.6982 58.9025 29.9956 178.1174 36 K 4.0017 7.0256 113.2228 57.0641 32.2139 177.9936 37 T 4.2937 7.3228 109.6526 60.4720 70.1378 175.1025 38 G 3.8272 7.8693 108.3834 46.1132 0.0000 172.6796 39 I 4.3587 7.4518 119.5148 58.4382 37.7383 175.3337 40 N 4.2468 8.7443 123.1067 53.7744 39.2351 173.8561 41 P 4.5125 0.0000 0.0000 65.1185 31.8694 178.3676 42 A 4.0762 8.1099 120.3113 54.1996 19.2695 178.0211 43 T 3.8583 7.2901 106.2322 61.7775 68.9884 174.4517 44 R 4.3690 8.4132 124.4374 56.3432 30.4276 176.7081 45 V 3.8466 8.1625 117.9458 64.6577 31.8130 177.2114 46 K 4.2390 7.9724 116.5865 57.2413 32.8475 176.2051 47 D 4.6674 7.8628 119.4430 53.4195 42.9944 175.0333 48 L 5.0630 8.3782 127.9762 55.5972 42.1241 174.0600 49 T 3.9963 8.9268 121.6355 63.7889 69.2413 174.7588 50 E 4.1409 8.6490 120.9594 59.3836 29.0908 178.3947 51 A 4.1076 8.2010 121.9220 53.6063 18.4016 179.0105 52 E 3.9276 7.9705 114.4485 59.8588 29.9578 179.5718 53 V 3.6471 7.9415 118.4440 65.5694 31.4253 177.8289 54 V 3.5805 8.4300 118.0011 66.0588 31.0142 178.6157 55 R 3.8753 9.1123 119.2730 59.3123 29.8223 178.3126 56 L 3.9765 8.2813 120.4420 58.1027 42.1353 178.7623 57 R 3.9242 8.6879 119.0365 59.4258 29.7768 177.9534 58 E 3.9565 8.5664 117.9348 59.2040 29.5587 178.4374 59 Y 3.9982 8.2979 117.7241 59.3277 38.5494 178.3031 60 V 2.9491 5.7095 117.9554 66.0838 32.5770 176.1905 61 E 4.0953 8.2459 119.4666 58.5938 29.1795 177.2856 62 N 4.7596 7.4735 113.9485 54.6053 40.6715 176.7558 63 T 3.5160 8.0893 114.9682 65.7437 69.3118 174.3148 64 W 4.3967 6.3073 119.5554 55.6963 32.6376 174.9192 65 K 4.3011 8.8067 114.9730 55.6903 34.2289 171.9844 66 L 4.8095 8.8572 120.7845 53.8689 42.3481 171.8419 67 E 3.7874 8.4775 125.7386 58.7890 28.4338 175.6562 68 G 4.0928 9.6605 123.6683 43.6940 0.0000 171.2817 69 E 4.9766 7.1590 122.6555 54.8439 30.1357 174.1971 70 L 4.6127 8.0089 123.6889 54.2193 45.2502 178.2769 71 R 4.4231 8.1409 117.1621 59.6985 30.0660 177.9378 72 A 4.1714 8.5745 119.3832 53.6328 18.1810 178.7288 73 E 4.1042 9.5453 118.4577 58.5974 29.9587 178.3041 74 V 3.8231 7.7788 117.0520 65.3483 31.6122 176.4642 75 A 4.0583 8.0286 121.2096 54.4271 17.8421 178.4062 76 A 4.0118 7.5057 120.1431 54.1666 18.7824 178.8890 77 N 4.2296 7.5015 114.1384 57.0576 38.8192 176.5952 78 I 3.8312 7.9659 120.6619 64.0741 37.1677 178.5488 79 K 3.9055 7.9246 119.5506 60.0133 31.8056 179.4611 80 R 3.7909 8.1691 118.8320 59.4444 30.0402 177.9113 81 L 4.2794 7.3155 113.3454 56.2167 41.1804 176.9012 82 M 4.5877 8.4315 116.5855 55.0157 32.4500 178.7839 83 D 4.8474 7.5117 119.3659 53.2999 38.6666 178.4496 84 I 3.8095 8.3476 117.6268 62.2058 37.8546 175.4275 85 G 4.2362 7.7575 109.6344 45.6086 0.0000 174.1852 86 C 4.1124 9.2600 114.7885 58.5113 30.9806 174.7309 87 Y 4.2112 8.9845 123.6253 61.0793 38.3255 178.5958 88 R 3.6848 8.1857 117.5713 58.9181 30.6064 177.9106 89 G 3.6142 8.4697 107.6203 48.5438 0.0000 174.2377 90 L 4.2165 7.0608 118.3939 54.9133 42.6215 176.7049 91 R 4.2795 8.6394 121.3712 57.7811 28.1717 178.9336 92 H 4.2892 7.9197 112.7124 58.8209 29.1141 176.9211 93 R 4.0152 8.3037 119.1764 58.9237 30.4108 176.9399 94 R 4.3092 7.4846 113.2630 58.2768 30.2816 177.6071 95 G 3.6303 7.4986 98.6955 47.4126 0.0000 172.2148 96 L 4.4693 7.7333 128.7102 53.3402 45.9752 172.3607 97 P 4.6020 0.0000 0.0000 61.8514 32.7718 175.8425 98 V 4.3176 7.9524 123.0764 61.3108 30.0696 175.2744 99 R 4.4867 7.8667 125.2542 56.5108 31.4698 176.5412 100 G 3.8019 8.6091 102.4951 47.1551 0.0000 172.7257 101 Q 4.4323 7.9590 122.3593 54.4387 32.7031 175.1276 102 R 4.1034 8.3454 117.9264 57.2159 28.3186 176.9184 103 T 4.2594 8.1654 112.5883 62.2888 71.0181 176.8126 104 R 3.9455 8.3686 122.4375 58.0011 28.9567 177.9809 105 T 4.1294 8.8221 103.0799 61.5420 70.8470 176.1159 106 N 3.9177 9.3021 118.1616 54.3202 37.4668 173.5706 107 A 3.6949 8.6045 117.0794 54.4234 15.6325 180.1356 108 R 4.1281 8.0349 121.0375 60.7316 30.6246 179.4560 109 T 4.1423 7.9888 113.2327 65.8989 68.4782 174.6971 110 R 4.5511 7.9399 117.5747 55.3629 30.9715 175.2109 111 K 4.3915 8.5860 118.4422 54.5017 34.2768 176.0305 112 G 3.8183 8.6088 113.9170 43.4865 0.0000 171.1522 113 P 4.1289 0.0000 0.0000 61.5417 32.0405 173.4307 114 R 4.5823 7.9502 115.8034 54.3280 31.9845 177.0883 115 K 4.2827 8.7781 121.5472 56.7198 33.6229 179.7797 116 T 3.1600 8.7010 114.3587 62.6304 68.0596 174.0178 117 V 3.5259 9.2761 120.9085 63.1896 32.5908 169.1447 118 A 4.6649 8.0333 124.1833 50.7919 22.3090 175.7755 119 G 3.9743 8.2003 108.0955 44.3576 0.0000 172.9909 120 K 4.2468 8.3465 120.0791 55.0385 32.0129 177.0957 121 K 4.3688 8.3138 124.1760 55.4820 33.5570 174.9436 122 K 4.5908 8.1570 117.8129 54.9665 35.5070 175.0725 123 A 4.5761 8.2978 122.7046 50.5679 19.4732 174.9520 124 P 4.6750 0.0000 0.0000 63.5718 31.4101 176.5890 125 R 3.9275 7.2694 119.9450 57.2201 30.5268 177.5654 *126 K 4.1215 8.3640 118.9566 55.1815 32.4047 172.4639 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 A 8.26 4.31 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 3 R 7.80 4.20 0.00 1.91 1.95 0.00 3.17 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 4 I 9.29 4.35 1.92 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 1.27 0.86 0.97 0.00 0.00 5 A 9.05 4.79 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 6 G 9.75 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 7 V 8.66 4.38 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 8 E 8.40 4.34 0.00 2.25 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 2.37 2.33 0.00 9 I 8.07 4.82 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 1.49 0.60 0.97 0.00 0.00 10 P 0.00 4.61 0.00 2.12 2.28 0.00 3.84 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 2.00 2.00 0.00 11 R 8.53 4.34 0.00 1.90 1.85 0.00 3.17 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 12 N 7.61 4.23 0.00 2.79 3.10 0.00 0.00 6.67 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 13 K 8.84 4.56 0.00 1.69 1.58 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.41 7.81 14 R 8.42 3.83 0.00 2.33 2.30 0.00 2.99 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 15 V 8.44 3.61 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 0.94 0.00 0.00 1.05 0.00 0.00 16 D 7.74 4.52 0.00 2.77 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.39 4.23 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 1.15 0.00 0.00 0.94 0.00 0.00 18 A 7.67 3.68 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 19 L 7.53 3.96 0.00 1.64 1.79 1.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.50 4.34 4.39 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 1.37 0.00 0.00 21 Y 7.29 4.64 0.00 3.03 2.94 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 22 I 7.85 4.76 2.02 0.00 0.00 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 1.27 0.93 1.16 0.00 0.00 23 Y 9.18 3.91 0.00 3.09 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 24 G 8.07 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 0.00 0.00 0.00 25 I 7.87 4.12 2.04 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.04 0.98 0.00 0.00 26 G 7.89 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 0.00 0.00 0.00 0.00 27 K 8.50 3.75 0.00 1.84 1.80 0.00 1.60 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.50 7.81 28 A 7.43 3.90 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.78 4.20 0.00 1.63 1.85 0.00 2.46 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.25 0.00 30 A 7.75 4.22 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 31 K 6.86 3.59 0.00 1.86 1.92 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.49 7.81 32 E 8.36 4.01 0.00 2.11 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 0.00 2.42 2.47 0.00 33 A 8.88 4.59 1.76 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 34 L 7.87 4.32 0.00 1.78 1.91 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.89 4.02 0.00 2.14 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 0.00 2.48 2.31 0.00 36 K 7.03 4.00 0.00 0.79 1.29 0.00 1.56 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.59 7.81 37 T 7.32 4.29 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 0.94 0.00 0.00 38 G 7.87 3.83 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 0.00 0.00 0.00 39 I 7.45 4.36 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 1.27 0.64 0.90 0.00 0.00 40 N 8.74 4.25 0.00 2.78 2.70 0.00 0.00 7.23 7.71 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 41 P 0.00 4.51 0.00 2.21 2.07 0.00 3.63 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 42 A 8.11 4.08 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 43 T 7.29 3.86 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 1.20 0.00 0.00 44 R 8.41 4.37 0.00 1.97 1.92 0.00 3.44 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 45 V 8.16 3.85 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 1.02 0.00 0.00 0.97 0.00 0.00 46 K 7.97 4.24 0.00 1.91 1.90 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.45 7.81 47 D 7.86 4.67 0.00 2.50 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 48 L 8.38 5.06 0.00 1.95 1.67 0.92 0.75 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 49 T 8.93 4.00 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 1.22 0.00 0.00 50 E 8.65 4.14 0.00 1.98 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 0.00 2.40 2.32 0.00 51 A 8.20 4.11 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 52 E 7.97 3.93 0.00 2.19 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 2.40 2.41 0.00 53 V 7.94 3.65 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 1.01 0.00 0.00 1.00 0.00 0.00 54 V 8.43 3.58 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 0.99 0.00 0.00 0.99 0.00 0.00 55 R 9.11 3.88 0.00 1.77 2.03 0.00 3.13 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 56 L 8.28 3.98 0.00 1.93 1.84 1.01 0.86 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 57 R 8.69 3.92 0.00 1.94 2.06 0.00 3.18 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 58 E 8.57 3.96 0.00 2.12 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 2.60 2.49 0.00 59 Y 8.30 4.00 0.00 2.95 2.83 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 60 V 5.71 2.95 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 1.22 0.00 0.00 1.18 0.00 0.00 61 E 8.25 4.10 0.00 2.05 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 0.00 2.34 2.40 0.00 62 N 7.47 4.76 0.00 2.89 2.71 0.00 0.00 6.81 6.93 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 63 T 8.09 3.52 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 -0.27 0.00 0.00 64 W 6.31 4.40 0.00 3.25 2.81 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 65 K 8.81 4.30 0.00 1.77 1.74 0.00 1.91 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.57 7.81 66 L 8.86 4.81 0.00 2.10 1.89 1.17 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.48 3.79 0.00 2.25 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 2.32 2.42 0.00 68 G 9.66 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 0.00 0.00 0.00 0.00 69 E 7.16 4.98 0.00 1.86 1.82 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 2.15 2.31 0.00 70 L 8.01 4.61 0.00 1.92 1.75 0.97 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.14 4.42 0.00 1.21 1.70 0.00 2.93 0.00 0.00 2.76 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 72 A 8.57 4.17 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 73 E 9.55 4.10 0.00 2.31 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 0.00 2.30 2.32 0.00 74 V 7.78 3.82 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 1.02 0.00 0.00 0.98 0.00 0.00 75 A 8.03 4.06 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 A 7.51 4.01 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 77 N 7.50 4.23 0.00 3.02 2.94 0.00 0.00 7.18 7.82 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 78 I 7.97 3.83 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.96 0.71 0.00 0.00 79 K 7.92 3.91 0.00 1.92 1.85 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.44 7.81 80 R 8.17 3.79 0.00 1.89 2.05 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 81 L 7.32 4.28 0.00 1.82 1.70 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 82 M 8.43 4.59 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.61 0.00 83 D 7.51 4.85 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 84 I 8.35 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 1.35 0.81 0.92 0.00 0.00 85 G 7.76 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 0.00 0.00 0.00 0.00 86 C 9.26 4.11 0.00 3.11 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 87 Y 8.98 4.21 0.00 2.99 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 88 R 8.19 3.68 0.00 1.81 1.94 0.00 3.26 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 1.53 1.69 0.00 89 G 8.47 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 90 L 7.06 4.22 0.00 1.70 1.63 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.64 4.28 0.00 1.78 2.11 0.00 3.21 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.90 0.00 92 H 7.92 4.29 0.00 3.47 3.30 0.00 5.73 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.30 4.02 0.00 1.79 1.95 0.00 3.24 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 94 R 7.48 4.31 0.00 1.75 1.81 0.00 3.32 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 95 G 7.50 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 96 L 7.73 4.47 0.00 1.60 1.52 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 97 P 0.00 4.60 0.00 2.19 2.15 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.93 0.00 98 V 7.95 4.32 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.75 0.00 0.00 99 R 7.87 4.49 0.00 1.59 1.84 0.00 3.35 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 100 G 8.61 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.96 4.43 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 7.19 0.00 0.00 0.00 0.00 0.00 2.27 2.53 0.00 102 R 8.35 4.10 0.00 1.80 1.93 0.00 3.37 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 103 T 8.17 4.26 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 0.00 104 R 8.37 3.95 0.00 1.80 1.73 0.00 3.24 0.00 0.00 3.28 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 105 T 8.82 4.13 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 0.00 106 N 9.30 3.92 0.00 2.85 2.89 0.00 0.00 6.96 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 0.00 107 A 8.60 3.69 1.45 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 0.00 108 R 8.03 4.13 0.00 1.93 1.98 0.00 3.20 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 109 T 7.99 4.14 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 0.00 110 R 7.94 4.55 0.00 1.75 1.90 0.00 3.14 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 111 K 8.59 4.39 0.00 1.64 1.69 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.42 7.81 112 G 8.61 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 0.00 0.00 0.00 113 P 0.00 4.13 0.00 2.35 2.17 0.00 3.82 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 1.88 1.96 0.00 114 R 7.95 4.58 0.00 1.85 1.84 0.00 3.12 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 115 K 8.78 4.28 0.00 1.72 1.85 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.18 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.52 7.81 116 T 8.70 3.16 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 0.00 117 V 9.28 3.53 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 0.73 0.00 0.00 0.98 0.00 0.00 118 A 8.03 4.66 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 119 G 8.20 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 0.00 120 K 8.35 4.25 0.00 1.75 1.78 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.39 7.81 121 K 8.31 4.37 0.00 1.74 1.77 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.45 7.81 122 K 8.16 4.59 0.00 1.69 1.71 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.39 7.81 123 A 8.30 4.58 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 0.00 124 P 0.00 4.67 0.00 2.19 2.15 0.00 3.78 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 125 R 7.27 3.93 0.00 1.87 1.96 0.00 3.35 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 *126 K 8.36 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.