NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 R 4.3313 8.2431 117.2816 56.5669 30.6922 175.3071 9 G 3.9511 7.8485 102.2493 45.3449 0.0000 169.3128 10 E 4.2577 8.2267 119.7791 55.8472 31.2423 174.7456 11 V 4.4726 7.9152 120.8356 61.3328 33.9296 174.5750 12 S 4.7638 8.2921 121.4161 56.9884 64.6154 175.9400 13 V 4.0344 8.2000 116.2993 64.2769 31.6711 176.8201 14 C 5.2332 7.4667 115.5627 55.4516 39.1245 173.7695 15 D 5.1124 8.6492 121.7806 53.5278 43.0687 175.2313 16 S 5.1710 8.2499 113.9114 57.2547 66.5296 172.8252 17 E 4.7482 8.8413 117.5888 54.6821 32.5345 174.7845 18 S 5.0748 8.4765 117.9586 56.9503 65.5356 173.1485 19 L 4.4346 7.8996 121.4999 54.5769 44.1297 173.9125 20 W 4.8731 8.7241 120.3680 55.6852 30.6119 175.9694 21 V 4.4141 9.3002 126.6535 61.9643 31.7808 176.1530 22 T 4.6729 8.8875 118.0655 61.6984 69.9686 174.2229 23 D 5.0103 7.7917 121.8431 52.6449 39.8456 175.8462 24 K 4.2612 8.3641 120.8018 57.6270 33.1555 175.8442 25 S 4.9514 8.5513 117.4186 56.6907 65.0017 173.0121 26 S 5.1455 7.8510 113.6170 57.5315 65.6423 172.1781 27 A 4.4805 8.6053 125.2961 51.6376 23.4824 174.8013 28 I 5.0064 8.0720 119.7394 59.7953 39.8056 176.5001 29 D 5.1686 8.8783 127.4267 51.9695 41.0879 176.9292 30 I 3.8798 8.1903 118.6642 63.4964 37.8705 176.9005 31 R 4.1408 8.0425 117.7137 56.9071 30.4738 177.1990 32 G 4.1666 8.2189 105.6532 45.6158 0.0000 173.0869 33 H 4.8507 8.7834 116.9804 54.2017 30.4757 173.9884 34 Q 4.8420 8.4268 120.5837 55.4769 29.4200 175.8335 35 V 4.6134 8.5904 116.7459 59.6716 36.5012 174.7758 36 T 4.7638 8.5822 119.6321 63.0020 70.0970 174.0921 37 V 4.4333 8.2001 126.6862 61.5561 32.8882 175.7247 38 L 4.3461 8.3619 128.3345 54.6098 42.2876 177.4355 39 G 3.9066 8.5018 107.3733 48.1743 0.0000 172.6895 40 E 5.1263 7.9204 119.3504 54.9764 33.5855 174.7225 41 I 4.2549 8.6286 125.1478 59.6289 37.9672 176.8833 42 K 3.9715 8.6216 127.7775 59.4270 32.4076 178.5262 43 T 3.8217 7.5664 113.4103 65.0802 68.7598 174.0770 44 Q 3.8372 8.6155 123.4903 55.3469 27.9795 173.1746 45 N 4.1619 7.4857 109.0773 54.5037 36.0121 172.1909 46 S 4.4924 7.3293 114.3126 57.5070 65.2153 172.2566 47 P 4.8782 0.0000 0.0000 60.9531 33.5566 175.2673 48 V 4.3193 7.9163 120.9968 60.0982 33.2328 175.6745 49 K 4.5038 8.7651 125.4269 56.6091 33.3143 175.8239 50 Q 4.4923 8.8765 127.2581 54.6479 29.6110 174.1483 51 Y 4.9574 7.7465 123.6903 55.1531 41.6059 174.5236 52 F 5.0445 8.9826 118.4681 55.9655 42.9738 173.9071 53 Y 4.2572 8.7048 122.8488 56.2403 39.3798 174.2504 54 E 4.7501 8.4288 128.2121 54.8969 33.1927 174.9399 55 T 5.3913 8.3738 118.1769 61.4293 70.3363 172.6146 56 R 4.7514 8.3049 124.8486 53.9615 33.5753 175.0752 57 C 4.7800 8.6157 116.8029 56.8114 40.0527 175.1029 58 K 3.8911 8.6453 122.8844 59.3006 31.9072 176.7601 59 E 4.6568 7.3078 115.3315 55.5844 32.0960 175.4303 60 A 4.5061 8.3367 123.5350 52.7356 18.7096 177.7048 61 R 5.1922 7.6623 112.3541 55.0142 30.6718 173.1245 62 P 4.2997 0.0000 0.0000 64.8788 31.7871 176.6921 63 V 4.3721 7.4241 110.4434 59.5724 33.8295 175.2657 64 K 4.6275 8.3493 118.1047 56.7286 32.5273 176.8360 65 N 4.8732 9.6145 118.1772 52.5260 42.3597 175.3312 66 G 4.3980 7.7056 107.5047 46.1254 0.0000 175.6519 67 C 4.8888 6.0085 119.1632 55.0010 41.1243 173.0712 68 R 4.2404 8.7098 121.6358 57.0297 30.2811 177.6244 69 G 3.9721 8.7641 110.6289 45.6549 0.0000 173.9820 70 I 3.9750 6.9913 119.2734 61.3443 38.1428 176.1553 71 D 4.8107 8.3103 122.9980 52.2958 39.4708 176.4455 72 D 5.3384 8.1277 120.6637 54.7553 39.7561 179.0509 73 K 4.1916 8.1001 118.4920 59.0508 32.1891 177.5698 74 H 4.7192 8.4542 115.3945 53.0475 28.8362 173.2879 75 W 5.3840 7.8558 117.1365 57.0432 33.8501 173.3349 76 N 5.5284 9.8054 121.5784 51.5805 40.6055 173.9234 77 S 5.7758 8.2270 116.6104 55.8582 67.5273 172.1701 78 Q 4.4987 8.1277 116.9423 55.5985 32.3076 173.1699 79 C 5.1714 8.6660 123.5507 55.6773 40.0743 172.5193 80 K 4.8375 8.8397 126.2678 54.5860 34.6177 175.3859 81 T 4.6195 8.4640 123.1503 63.5543 69.1668 174.0575 82 S 4.8473 9.2560 120.7493 56.7810 66.1974 172.9444 83 Q 5.0933 8.4069 118.9085 54.5832 32.2057 173.9029 84 T 4.5738 8.4868 114.3516 60.8840 71.7281 171.3718 85 Y 5.5593 8.4898 119.5913 56.4222 40.3010 176.2293 86 V 5.0729 9.0830 115.6599 59.7319 36.4422 175.0089 87 R 4.2815 8.5511 123.2391 56.0676 30.6508 175.8159 88 A 5.0366 8.8972 124.1970 49.9894 23.5268 174.5858 89 L 3.7650 8.4721 123.0945 54.5185 43.3403 176.0839 90 T 5.2281 8.9871 116.0270 60.3629 73.2162 172.2367 91 S 4.9430 8.8360 114.9318 56.8605 67.4644 172.7793 92 E 4.6204 8.8603 120.9002 54.9615 32.5571 174.9325 93 N 4.2925 9.6695 124.3118 54.5930 36.1464 174.2979 94 N 4.3232 8.5975 111.0847 53.9701 35.9633 173.7463 95 K 4.5833 7.6431 117.6499 55.1680 36.5226 175.5107 96 L 3.6744 8.5410 116.2620 55.8059 38.9734 175.8945 97 V 3.7832 7.7987 116.8846 63.4691 32.5406 175.7541 98 G 3.9482 8.6236 114.0330 45.6456 0.0000 171.8258 99 W 4.8645 8.8945 120.2848 56.2614 29.5569 176.6374 100 R 4.7096 8.8926 123.5951 53.8683 34.3825 174.7056 101 W 4.9950 8.6199 121.5605 56.2950 30.4099 175.5195 102 I 5.1757 9.1439 118.7182 59.0595 40.6860 174.6973 103 R 4.9257 8.8432 123.6483 55.4824 30.8357 176.1263 104 I 4.5753 8.2825 117.3407 58.5489 41.4602 174.6841 105 D 4.7667 8.6438 124.2765 55.3408 41.0781 176.5107 106 T 4.6162 8.5232 117.5427 61.9362 69.8342 173.0147 107 S 4.5541 7.3898 113.8824 58.3293 66.1096 174.7274 108 C 5.3544 8.7833 119.9800 54.8076 44.3143 172.9927 109 V 4.6008 8.8448 125.3871 61.1295 35.2523 173.1397 110 C 4.9825 8.7850 126.1398 55.9461 45.7744 172.2361 111 A 4.6726 9.0983 129.1700 50.4971 20.3573 175.4999 112 L 4.9571 8.3438 122.8101 53.5850 43.5863 176.2329 113 S 4.8429 9.3654 117.0115 56.5998 66.3457 173.9111 114 R 3.9330 8.5704 126.2780 55.6642 32.2632 176.5116 *116 K 4.4642 8.3009 117.7908 56.8358 32.4929 175.9899 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 8 R 8.24 4.33 0.00 1.94 2.08 0.00 2.95 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 9 G 7.85 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 10 E 8.23 4.26 0.00 1.97 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 2.31 2.29 0.00 11 V 7.92 4.47 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 0.98 0.00 0.00 12 S 8.29 4.76 0.00 4.08 3.73 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 13 V 8.20 4.03 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 0.74 0.00 0.00 0.89 0.00 0.00 14 C 7.47 5.23 0.00 2.94 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 15 D 8.65 5.11 0.00 2.58 2.55 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 16 S 8.25 5.17 0.00 3.86 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 17 E 8.84 4.75 0.00 1.99 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 2.13 2.19 0.00 18 S 8.48 5.07 0.00 3.61 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 19 L 7.90 4.43 0.00 1.67 1.64 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 20 W 8.72 4.87 0.00 3.32 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 9.30 4.41 2.32 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 1.13 0.00 0.00 1.03 0.00 0.00 22 T 8.89 4.67 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 1.09 0.00 0.00 23 D 7.79 5.01 0.00 2.79 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 24 K 8.36 4.26 0.00 1.94 2.00 0.00 1.45 0.00 0.00 1.53 0.00 0.00 2.83 0.00 0.00 2.30 0.00 0.00 0.00 0.00 1.52 1.42 7.81 25 S 8.55 4.95 0.00 3.89 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 26 S 7.85 5.15 0.00 3.85 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 27 A 8.61 4.48 1.15 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 0.00 0.00 28 I 8.07 5.01 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.09 0.96 0.00 0.00 29 D 8.88 5.17 0.00 3.12 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 30 I 8.19 3.88 1.64 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.28 0.93 0.00 0.00 31 R 8.04 4.14 0.00 1.92 1.90 0.00 3.09 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 32 G 8.22 4.17 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 0.00 33 H 8.78 4.85 0.00 3.19 3.29 0.00 5.63 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.43 4.84 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 35 V 8.59 4.61 2.23 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 0.77 0.00 0.00 0.93 0.00 0.00 36 T 8.58 4.76 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 1.22 0.00 0.00 37 V 8.20 4.43 2.29 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 1.14 0.00 0.00 0.89 0.00 0.00 38 L 8.36 4.35 0.00 1.61 1.52 0.82 0.89 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 39 G 8.50 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 40 E 7.92 5.13 0.00 1.94 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 2.19 2.51 0.00 41 I 8.63 4.25 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 1.14 0.99 1.07 0.00 0.00 42 K 8.62 3.97 0.00 1.87 1.85 0.00 1.54 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.64 7.81 43 T 7.57 3.82 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 1.24 0.00 0.00 44 Q 8.62 3.84 0.00 2.18 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.45 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 45 N 7.49 4.16 0.00 2.78 2.74 0.00 0.00 7.27 7.63 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 46 S 7.33 4.49 0.00 3.96 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.88 0.00 2.34 1.96 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.05 0.00 48 V 7.92 4.32 2.10 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 0.80 0.00 0.00 0.96 0.00 0.00 49 K 8.77 4.50 0.00 1.83 1.87 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.79 7.81 50 Q 8.88 4.49 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.46 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 51 Y 7.75 4.96 0.00 3.24 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 52 F 8.98 5.04 0.00 3.10 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 53 Y 8.70 4.26 0.00 1.97 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.43 4.75 0.00 1.97 1.61 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 2.19 2.23 0.00 55 T 8.37 5.39 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 1.07 0.00 0.00 56 R 8.30 4.75 0.00 1.79 1.95 0.00 3.10 0.00 0.00 3.50 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 57 C 8.62 4.78 0.00 2.86 3.18 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 0.00 58 K 8.65 3.89 0.00 1.77 1.86 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.51 7.81 59 E 7.31 4.66 0.00 1.85 1.75 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 2.06 2.16 0.00 60 A 8.34 4.51 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 61 R 7.66 5.19 0.00 2.06 1.91 0.00 2.80 0.00 0.00 3.93 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 62 P 0.00 4.30 0.00 2.19 2.34 0.00 4.06 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 63 V 7.42 4.37 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 0.75 0.00 0.00 0.94 0.00 0.00 64 K 8.35 4.63 0.00 1.70 1.77 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.38 7.81 65 N 9.61 4.87 0.00 2.67 2.83 0.00 0.00 7.12 7.98 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 66 G 7.71 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 67 C 6.01 4.89 0.00 2.88 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 68 R 8.71 4.24 0.00 1.80 1.95 0.00 3.14 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 69 G 8.76 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 70 I 6.99 3.97 1.89 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 1.28 0.80 0.95 0.00 0.00 71 D 8.31 4.81 0.00 2.90 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 72 D 8.13 5.34 0.00 2.86 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 73 K 8.10 4.19 0.00 1.99 1.81 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.42 7.81 74 H 8.45 4.72 0.00 2.53 3.02 0.00 5.79 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 W 7.86 5.38 0.00 3.36 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 76 N 9.81 5.53 0.00 2.86 2.76 0.00 0.00 6.47 7.62 0.00 0.00 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 S 8.23 5.78 0.00 3.81 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 78 Q 8.13 4.50 0.00 2.10 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.93 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 79 C 8.67 5.17 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 80 K 8.84 4.84 0.00 1.81 1.60 0.00 1.50 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.40 7.81 81 T 8.46 4.62 4.20 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 1.26 0.00 0.00 82 S 9.26 4.85 0.00 3.76 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 83 Q 8.41 5.09 0.00 1.76 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 84 T 8.49 4.57 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 1.25 0.00 0.00 85 Y 8.49 5.56 0.00 2.85 3.08 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 0.00 0.00 0.00 86 V 9.08 5.07 2.33 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 0.94 0.00 0.00 1.09 0.00 0.00 87 R 8.55 4.28 0.00 1.30 1.81 0.00 2.84 0.00 0.00 2.59 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 88 A 8.90 5.04 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 89 L 8.47 3.76 0.00 0.27 0.98 0.08 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 90 T 8.99 5.23 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 1.20 0.00 0.00 91 S 8.84 4.94 0.00 3.97 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 92 E 8.86 4.62 0.00 2.00 1.79 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 2.22 2.30 0.00 93 N 9.67 4.29 0.00 2.91 2.88 0.00 0.00 7.24 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.60 4.32 0.00 2.88 2.94 0.00 0.00 6.90 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 95 K 7.64 4.58 0.00 1.84 1.67 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.52 7.81 96 L 8.54 3.67 0.00 1.73 1.69 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 97 V 7.80 3.78 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 0.65 0.00 0.00 0.89 0.00 0.00 98 G 8.62 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 99 W 8.89 4.86 0.00 3.10 3.03 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 0.00 100 R 8.89 4.71 0.00 1.68 1.78 0.00 3.09 0.00 0.00 3.32 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 101 W 8.62 4.99 0.00 3.22 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 0.00 102 I 9.14 5.18 1.86 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.89 0.92 0.00 0.00 103 R 8.84 4.93 0.00 1.66 1.94 0.00 3.27 0.00 0.00 3.60 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.11 0.00 104 I 8.28 4.58 1.79 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.92 0.63 0.00 0.00 105 D 8.64 4.77 0.00 2.55 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 0.00 106 T 8.52 4.62 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 1.24 0.00 0.00 107 S 7.39 4.55 0.00 3.85 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 0.00 108 C 8.78 5.35 0.00 2.93 2.95 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 0.00 109 V 8.84 4.60 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 0.93 0.00 0.00 0.89 0.00 0.00 110 C 8.78 4.98 0.00 2.97 2.90 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 0.00 111 A 9.10 4.67 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 0.00 112 L 8.34 4.96 0.00 1.21 0.97 -0.07 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 113 S 9.37 4.84 0.00 3.89 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.57 3.93 0.00 2.00 1.76 0.00 2.25 0.00 0.00 2.94 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.49 0.00 *116 K 8.30 4.46 0.00 1.69 1.69 0.00 1.91 0.00 0.00 0.61 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.39 7.81 * Residues marked with a * may have inaccurate shift predictions.