NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2567 8.1749 110.9230 61.1955 70.0985 173.4566 3 L 4.0294 8.0925 123.3546 53.7986 42.5637 175.3620 4 Y 4.2983 8.1413 119.8113 58.0505 39.6401 176.4688 5 S 4.6401 9.4550 119.6932 57.3579 65.8787 175.5099 6 K 3.9027 8.6125 122.0374 59.7503 31.7183 179.3740 7 K 3.9317 8.0236 119.2286 59.4890 32.1143 178.4036 8 D 4.3725 8.0253 119.0914 57.5403 40.7748 178.7657 9 I 3.5822 7.7852 120.1998 64.3491 37.1093 178.6017 10 V 3.5659 7.9983 119.0917 66.1526 31.3501 178.0644 11 Q 4.0051 8.0322 117.6856 59.2227 28.5657 178.9578 12 Q 3.9870 8.3595 118.9157 58.7660 28.6834 178.6779 13 A 4.0023 8.3237 122.4456 55.1197 18.3713 179.9309 14 R 3.9167 8.0127 116.7049 59.3630 29.8555 179.0328 15 N 4.3621 7.8536 115.8053 55.9800 38.5675 176.9069 16 L 4.0486 7.7460 120.8252 58.1185 42.4534 178.5071 17 A 4.1699 8.0292 120.6805 54.9741 17.9910 180.2192 18 K 4.2344 7.6110 113.1586 57.3310 32.3409 178.1811 *20 I 4.2042 7.7832 122.9582 61.4600 38.8758 177.7182 21 S 4.3731 8.1816 112.7326 59.7193 63.0712 174.1697 22 E 4.7100 7.5351 120.7978 56.4741 30.0580 176.0653 23 T 4.6591 7.4696 108.1168 59.8482 72.9519 173.7413 24 E 4.0550 8.5653 120.5913 59.3687 29.4241 179.3495 25 E 4.2467 8.2064 118.3139 59.8052 29.5936 179.5637 26 V 3.7076 7.7007 117.7227 65.7879 31.6288 177.5582 27 D 4.3955 8.3447 118.2337 57.0723 41.0426 178.0267 28 F 4.4748 8.6702 121.5372 61.3888 39.3958 176.8505 29 F 4.1190 8.2475 121.6456 60.6119 39.1342 177.2567 30 K 4.1660 8.7308 118.6710 59.5850 31.9129 179.6134 31 R 4.0653 8.1782 115.8089 58.8914 29.2970 178.7787 32 A 4.0283 8.1290 121.9355 54.9767 18.2834 179.1528 33 E 3.4857 8.3237 117.8730 59.2176 29.2280 178.8418 34 A 3.9742 8.0018 120.8287 55.3741 18.2898 179.6918 35 Q 3.7477 7.9735 116.3912 58.7572 28.5466 178.6127 36 I 3.8533 7.2516 113.0295 63.1688 37.9688 177.3891 37 N 4.4466 7.7187 116.6666 54.7128 38.5543 175.2950 38 E 4.4602 7.3189 117.7978 56.2215 31.5097 175.9831 39 N 4.4257 7.7796 119.0682 53.3741 39.6782 175.3078 40 D 4.3247 8.8382 125.8519 57.3451 41.0519 178.5946 41 K 3.9088 8.0751 119.6959 59.5727 32.1374 178.8233 42 V 3.5716 8.3763 118.7745 65.8784 31.4479 178.0276 43 S 4.0329 7.7911 112.8503 61.4994 62.2529 176.2112 44 T 3.8228 8.2362 118.8127 66.8076 68.2180 176.7159 45 I 3.7029 7.8223 121.6008 64.4236 37.1574 178.7244 46 V 3.5832 8.0492 119.2955 65.9728 31.1834 177.9260 47 N 4.3567 8.1318 116.2451 56.3284 38.4229 177.3839 48 Q 3.9913 8.1048 119.4668 58.9903 28.7525 178.9835 49 I 3.7041 7.9391 120.8129 64.2237 37.2468 178.4007 50 K 4.0167 8.0889 118.9942 59.6201 32.0446 178.9594 51 A 4.0106 8.2409 121.0218 55.4831 18.2033 179.7561 52 L 4.0064 8.0970 117.2378 57.9545 41.5420 179.7085 53 Q 4.0090 8.2779 117.8842 58.2652 28.0955 178.4604 54 K 4.0033 7.8274 120.7830 59.3677 32.2507 178.9078 55 Q 4.0152 7.9807 117.8215 58.5153 28.6272 178.2195 56 A 3.9674 8.2493 122.2057 55.3865 18.5048 179.7769 57 V 3.5813 7.5290 116.7094 66.0996 31.4914 177.8080 58 N 4.4303 7.8526 116.0321 56.8232 38.9139 176.8701 59 L 4.0906 8.5604 120.9998 57.7352 41.8306 179.7310 60 K 4.1690 8.3234 118.7960 59.8894 32.3339 178.8340 61 H 4.1120 7.9468 118.3214 59.3713 29.9646 176.1843 62 Y 4.1000 7.9532 114.6467 57.0515 38.0921 175.1123 63 E 3.6320 7.7177 118.0432 57.4600 28.1679 176.8464 64 K 4.3246 8.2762 118.0968 54.9361 29.1786 176.0684 65 H 4.1697 7.7059 121.3522 59.0924 28.7767 176.8586 66 E 3.9771 8.3012 119.2435 59.6520 29.4674 179.3382 67 A 4.0524 7.9710 120.0783 54.8993 18.3991 179.2488 68 L 3.9185 8.1479 119.2453 58.2749 42.2031 179.2000 69 K 3.9363 8.1707 118.4119 59.7124 31.9253 179.3277 70 Q 3.9914 7.7999 117.1620 58.9992 28.6695 178.8817 71 V 3.5964 7.7259 119.0122 66.0663 31.5253 177.9647 72 E 4.0214 8.6994 118.6440 59.1104 29.1839 179.1386 73 A 4.0244 8.0562 121.0538 55.0049 18.4287 179.8185 74 K 3.9140 8.2735 117.1557 59.6207 32.0243 179.6781 75 I 3.7218 7.8018 120.0750 64.4589 37.0589 178.1956 76 D 4.3350 8.2516 119.4927 57.2820 40.7421 178.6625 77 A 4.0107 8.2213 121.3743 55.2871 18.3142 179.7637 78 L 3.9724 8.0918 117.4435 57.9118 41.7869 179.7386 79 Q 3.9868 8.4214 118.3884 59.1074 28.4575 178.7505 80 E 3.9994 8.0359 118.3623 59.3052 29.8850 178.6743 81 E 4.0564 8.1455 119.2539 59.0372 29.7334 178.4834 82 L 3.9477 8.0713 120.5979 58.4407 41.9635 178.9634 83 E 4.1150 7.9186 116.2739 58.9415 29.4062 178.6929 84 E 4.2165 7.8047 117.4130 57.3563 29.9205 177.3065 85 I 3.8317 7.2651 121.4355 60.5787 37.8313 174.4841 86 P 4.2505 0.0000 0.0000 66.2747 31.2228 179.1243 87 V 3.6746 7.8057 109.9976 64.2558 31.3681 178.6857 88 I 3.8549 7.5911 119.4514 64.3181 37.1379 178.0551 89 Q 4.0556 8.4662 119.3121 59.0782 28.5084 178.8376 90 E 4.1067 8.5008 119.7048 59.2998 29.4185 179.1777 91 F 3.9399 8.1380 120.6581 61.3734 39.2592 177.3616 92 R 3.6774 8.1218 116.7129 59.3426 29.8982 178.5140 93 D 4.5027 7.9522 118.0205 57.2817 41.2049 178.6635 94 S 3.7581 7.6838 114.8811 60.9894 62.7206 176.9080 95 Q 4.1016 7.5779 118.4648 56.5794 28.2808 178.1078 *97 E 4.2741 8.1024 121.7095 56.5825 31.7522 178.5320 98 V 3.5489 7.8529 117.8026 66.0880 31.5035 177.9073 99 N 4.3102 8.4271 116.5866 56.3532 38.3440 177.2201 100 D 4.3847 8.0056 119.9904 56.9776 40.9515 178.3782 101 L 3.9561 7.9337 121.0640 58.1255 42.1033 178.9796 102 L 3.9392 8.0343 119.0505 57.8678 41.4438 179.3535 103 Q 3.8573 8.0742 119.5540 58.8709 28.8890 177.9445 104 L 3.9623 7.9843 121.5056 58.0860 42.0500 179.1031 105 V 3.5374 7.9594 117.9852 65.9585 31.4500 177.7924 106 A 3.9406 8.0625 120.4753 55.5624 18.1872 179.3883 107 H 4.2177 8.3689 114.8834 59.2185 28.6887 178.1945 108 T 3.8676 8.2871 117.9149 66.6982 68.3292 176.7285 109 I 3.6610 7.9937 121.9162 64.3955 37.0408 178.4115 110 S 4.0893 8.1758 113.9063 61.6665 62.3794 176.0636 111 N 4.4146 8.6439 119.5083 56.1216 38.1528 177.2896 112 Q 3.9993 8.4177 121.4819 58.7550 29.0408 178.1723 113 V 3.5636 7.8942 119.4122 66.3829 31.5568 178.0637 114 T 3.8578 7.6830 115.1482 66.7169 68.2522 176.3312 115 N 4.3040 7.9854 117.9585 56.3505 38.7468 177.0402 116 E 3.9829 8.4733 120.9933 59.4311 29.7137 178.9734 117 I 3.7766 8.1136 120.1280 64.2232 37.1283 178.5462 118 I 3.6957 7.9286 121.0934 64.6574 36.8166 178.6918 119 T 3.9501 8.2080 109.3149 64.2906 68.5347 175.7073 120 S 4.4041 7.7254 114.7901 60.0052 62.7977 174.4383 121 T 4.4573 8.4646 115.6691 65.4585 70.0849 174.7863 122 G 3.6359 8.6234 106.0066 44.7594 0.0000 174.9800 123 G 4.1043 8.2295 104.5973 45.5512 0.0000 173.5122 124 D 4.5392 8.3319 117.2808 53.2193 39.5592 176.1083 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 T 8.17 4.26 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 1.17 0.00 0.00 3 L 8.09 4.03 0.00 1.73 1.65 0.92 0.57 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 4 Y 8.14 4.30 0.00 2.99 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 5 S 9.45 4.64 0.00 4.02 4.01 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 0.00 0.00 0.00 6 K 8.61 3.90 0.00 1.83 1.93 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.53 7.81 7 K 8.02 3.93 0.00 1.83 1.82 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.54 7.81 8 D 8.03 4.37 0.00 3.07 3.02 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 9 I 7.79 3.58 2.02 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.91 0.86 0.00 0.00 10 V 8.00 3.57 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 1.02 0.00 0.00 0.95 0.00 0.00 11 Q 8.03 4.01 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 12 Q 8.36 3.99 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 13 A 8.32 4.00 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 14 R 8.01 3.92 0.00 2.06 1.98 0.00 3.12 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.88 0.00 15 N 7.85 4.36 0.00 2.87 2.86 0.00 0.00 6.98 7.95 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 16 L 7.75 4.05 0.00 1.80 1.78 0.89 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.03 4.17 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 18 K 7.61 4.23 0.00 1.89 1.84 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.75 7.81 *20 I 7.78 4.20 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.04 0.87 0.00 0.00 21 S 8.18 4.37 0.00 3.95 4.08 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 22 E 7.54 4.71 0.00 2.06 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 2.24 2.34 0.00 23 T 7.47 4.66 4.45 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 1.24 0.00 0.00 24 E 8.57 4.06 0.00 2.06 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 2.41 2.42 0.00 25 E 8.21 4.25 0.00 2.09 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 0.00 2.44 2.70 0.00 26 V 7.70 3.71 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 1.10 0.00 0.00 0.87 0.00 0.00 27 D 8.34 4.40 0.00 3.00 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 28 F 8.67 4.47 0.00 3.13 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 29 F 8.25 4.12 0.00 3.01 3.13 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 K 8.73 4.17 0.00 2.10 1.95 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.67 1.83 7.81 31 R 8.18 4.07 0.00 2.14 2.27 0.00 2.86 0.00 0.00 3.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.84 0.00 32 A 8.13 4.03 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 33 E 8.32 3.49 0.00 1.84 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 2.18 2.02 0.00 34 A 8.00 3.97 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 35 Q 7.97 3.75 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 36 I 7.25 3.85 1.65 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.20 0.77 0.00 0.00 37 N 7.72 4.45 0.00 2.76 2.85 0.00 0.00 6.85 9.01 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 38 E 7.32 4.46 0.00 1.84 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 0.00 2.22 2.26 0.00 39 N 7.78 4.43 0.00 2.79 2.65 0.00 0.00 7.03 9.28 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 40 D 8.84 4.32 0.00 2.71 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 41 K 8.08 3.91 0.00 1.81 1.94 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.49 7.81 42 V 8.38 3.57 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 0.95 0.00 0.00 0.92 0.00 0.00 43 S 7.79 4.03 0.00 3.86 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 44 T 8.24 3.82 4.36 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 1.20 0.00 0.00 45 I 7.82 3.70 1.86 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 1.40 0.72 0.94 0.00 0.00 46 V 8.05 3.58 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 1.01 0.00 0.00 0.92 0.00 0.00 47 N 8.13 4.36 0.00 2.95 2.83 0.00 0.00 6.97 7.69 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 48 Q 8.10 3.99 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.64 0.00 49 I 7.94 3.70 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.77 0.91 0.00 0.00 50 K 8.09 4.02 0.00 2.13 1.86 0.00 1.56 0.00 0.00 1.90 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.51 7.81 51 A 8.24 4.01 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 52 L 8.10 4.01 0.00 1.87 1.73 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.28 4.01 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.68 0.00 54 K 7.83 4.00 0.00 1.85 1.97 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 55 Q 7.98 4.02 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.65 0.00 56 A 8.25 3.97 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.53 3.58 2.24 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 1.00 0.00 0.00 0.97 0.00 0.00 58 N 7.85 4.43 0.00 3.07 2.96 0.00 0.00 7.20 6.54 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 59 L 8.56 4.09 0.00 1.83 1.73 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.32 4.17 0.00 2.03 2.10 0.00 1.34 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.75 1.55 7.81 61 H 7.95 4.11 0.00 3.24 3.69 0.00 5.94 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 7.95 4.10 0.00 2.99 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 63 E 7.72 3.63 0.00 2.08 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 2.23 2.35 0.00 64 K 8.28 4.32 0.00 1.71 1.75 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.62 1.62 7.81 65 H 7.71 4.17 0.00 3.19 3.36 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.30 3.98 0.00 1.99 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 2.44 2.35 0.00 67 A 7.97 4.05 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 68 L 8.15 3.92 0.00 1.90 1.95 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.17 3.94 0.00 2.09 1.87 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.62 7.81 70 Q 7.80 3.99 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 71 V 7.73 3.60 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 1.06 0.00 0.00 0.93 0.00 0.00 72 E 8.70 4.02 0.00 2.18 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 2.34 2.63 0.00 73 A 8.06 4.02 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 74 K 8.27 3.91 0.00 1.99 1.87 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.67 7.81 75 I 7.80 3.72 2.01 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 1.52 0.83 0.92 0.00 0.00 76 D 8.25 4.33 0.00 2.85 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 77 A 8.22 4.01 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 78 L 8.09 3.97 0.00 1.86 1.72 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 8.42 3.99 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.70 0.00 80 E 8.04 4.00 0.00 1.96 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 2.54 2.47 0.00 81 E 8.15 4.06 0.00 2.07 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 0.00 2.31 2.32 0.00 82 L 8.07 3.95 0.00 1.89 1.88 0.90 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 83 E 7.92 4.11 0.00 2.15 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 2.58 2.51 0.00 84 E 7.80 4.22 0.00 2.18 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 2.55 2.49 0.00 85 I 7.27 3.83 1.98 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 1.30 0.98 0.91 0.00 0.00 86 P 0.00 4.25 0.00 2.16 2.15 0.00 3.61 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.23 0.00 87 V 7.81 3.67 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 0.81 0.00 0.00 0.91 0.00 0.00 88 I 7.59 3.85 2.14 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.10 1.00 0.00 0.00 89 Q 8.47 4.06 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.67 0.00 90 E 8.50 4.11 0.00 2.24 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 2.58 2.57 0.00 91 F 8.14 3.94 0.00 3.09 3.17 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 92 R 8.12 3.68 0.00 1.91 1.94 0.00 3.38 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 93 D 7.95 4.50 0.00 2.92 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 94 S 7.68 3.76 0.00 3.26 2.63 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 95 Q 7.58 4.10 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.43 0.00 0.00 0.00 0.00 0.00 2.15 1.28 0.00 *97 E 8.10 4.27 0.00 2.31 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 2.39 2.57 0.00 98 V 7.85 3.55 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 0.81 0.00 0.00 0.90 0.00 0.00 99 N 8.43 4.31 0.00 2.75 2.82 0.00 0.00 7.07 8.51 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 0.00 100 D 8.01 4.38 0.00 2.82 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 0.00 101 L 7.93 3.96 0.00 1.85 1.83 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 102 L 8.03 3.94 0.00 1.84 1.65 0.85 0.68 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 0.00 103 Q 8.07 3.86 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 104 L 7.98 3.96 0.00 1.83 1.87 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 105 V 7.96 3.54 2.21 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 1.02 0.00 0.00 0.93 0.00 0.00 106 A 8.06 3.94 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 0.00 107 H 8.37 4.22 0.00 3.32 3.32 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 T 8.29 3.87 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 1.21 0.00 0.00 109 I 7.99 3.66 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.02 0.89 0.00 0.00 110 S 8.18 4.09 0.00 3.98 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 0.00 111 N 8.64 4.41 0.00 2.89 2.85 0.00 0.00 6.72 7.06 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 0.00 112 Q 8.42 4.00 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 113 V 7.89 3.56 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 1.07 0.00 0.00 0.95 0.00 0.00 114 T 7.68 3.86 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 1.21 0.00 0.00 115 N 7.99 4.30 0.00 2.99 2.86 0.00 0.00 6.66 7.12 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 0.00 116 E 8.47 3.98 0.00 2.25 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 0.00 2.32 2.41 0.00 117 I 8.11 3.78 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.58 0.91 0.00 0.00 118 I 7.93 3.70 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.23 0.91 0.00 0.00 119 T 8.21 3.95 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 1.27 0.00 0.00 120 S 7.73 4.40 0.00 4.03 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 0.00 121 T 8.46 4.46 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 1.21 0.00 0.00 122 G 8.62 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 0.00 123 G 8.23 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 0.00 124 D 8.33 4.54 0.00 2.76 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 * Residues marked with a * may have inaccurate shift predictions.