NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 4.4297 8.2548 109.1125 45.3728 0.0000 175.0707 17 I 3.6729 7.3043 120.3180 63.5194 37.4237 175.4113 18 T 4.0023 7.7832 116.4200 63.7977 70.2707 173.1215 19 G 3.5741 7.7472 112.6516 44.8083 0.0000 171.7733 20 T 4.6399 7.7126 118.6363 61.4746 70.7157 174.3005 21 W 4.7342 8.0544 124.8594 54.8633 33.3049 173.9618 22 Y 5.3270 9.1854 120.0235 56.5714 41.6899 175.1952 23 N 5.2648 8.7609 120.5359 51.8101 39.8580 174.5709 24 Q 4.4301 8.5641 116.1947 56.6040 29.1194 176.0686 25 L 4.5505 8.3847 116.7633 54.4261 42.2292 177.0490 26 G 4.0044 8.5866 106.3680 45.3381 0.0000 173.5603 27 S 5.0713 8.5979 115.8049 57.5603 65.3077 173.4601 28 T 5.0618 8.4900 118.4895 61.8186 72.7106 173.0216 29 F 5.1619 8.4104 119.1103 55.0403 42.1774 173.0398 30 I 4.9464 8.6116 120.2229 59.2275 40.5860 174.6444 31 V 4.9980 8.8326 127.6144 60.3387 35.5476 174.0758 32 T 4.6938 8.8648 119.3970 61.8229 71.0345 173.2662 33 A 4.3839 8.7248 129.8142 50.2934 19.2511 177.2618 34 G 3.8151 9.3300 111.3951 45.6797 0.0000 173.6989 35 A 4.1615 8.5603 123.2178 54.1722 18.5402 178.1938 36 D 4.5921 8.1590 114.0188 53.1076 39.9115 177.3732 37 G 3.3821 8.3354 108.5134 45.0372 0.0000 173.2730 38 A 4.7923 8.1185 121.7269 51.5138 20.1452 176.6559 39 L 5.2743 8.8553 121.4526 53.1513 44.4532 175.8841 40 T 4.8890 8.7646 112.9616 59.6397 72.5407 174.3922 41 G 4.2933 7.3580 108.6537 46.3384 0.0000 171.0304 42 T 5.1448 7.6806 115.3165 61.8173 73.1346 172.6999 43 F 5.0966 9.5527 128.4402 56.3568 42.2504 173.4346 44 E 5.3302 9.1548 127.9798 54.6717 30.7596 176.5072 45 S 4.7495 9.6565 123.0110 61.3718 63.5959 174.4045 46 A 4.7031 8.1120 121.2576 53.5108 26.1110 177.2192 *51 E 4.0787 8.0394 111.7646 55.8444 31.3585 176.3333 52 S 4.9428 7.8823 113.3100 58.0860 64.4858 173.1858 53 R 5.2864 7.8454 118.4131 55.5732 31.9648 175.2005 54 Y 4.9146 9.1013 119.5727 56.0001 42.7762 174.8821 55 V 4.3136 8.6333 122.4150 62.8882 32.7707 175.0095 56 L 5.0714 8.7513 127.3211 54.4281 43.2481 175.4498 57 T 4.9905 8.5036 117.2525 62.7050 73.3859 173.6532 58 G 4.3937 8.7540 110.5101 46.5530 0.0000 172.1582 59 R 5.5473 8.6590 118.2169 55.0754 34.9748 173.9950 60 Y 5.2754 8.5867 118.6048 55.2996 41.7950 174.4830 61 D 4.2887 9.0490 120.5896 54.1030 40.7719 176.9482 62 S 4.1317 8.1594 121.0286 59.2814 64.1341 174.1015 63 A 4.6988 8.0659 123.4076 50.1842 18.4614 173.4787 64 P 4.7852 0.0000 0.0000 60.8901 32.8373 177.0792 65 A 4.2110 8.3585 121.9930 52.6198 19.3742 177.8153 66 T 4.7266 8.2258 108.5351 61.0722 68.3540 173.9580 67 D 4.7852 8.1275 116.1096 53.4572 40.7715 177.4139 68 G 3.9924 8.4456 108.3683 45.5727 0.0000 174.4086 69 S 4.3373 7.9310 115.5231 58.0929 63.4303 174.1493 70 G 4.0053 8.3526 110.3709 46.3288 0.0000 172.7032 71 T 4.7899 8.8845 116.7285 61.6245 70.0446 174.9672 72 A 4.8108 8.6910 129.3490 52.2515 19.9352 175.8649 73 L 5.0524 8.9416 120.3571 55.5223 44.6760 174.0548 74 G 4.6443 9.2486 105.2205 45.5186 0.0000 172.1275 75 W 5.7311 8.5885 117.3769 55.5819 32.4864 173.3873 76 T 5.1445 9.2289 116.5617 61.7514 72.0711 173.4363 77 V 4.5295 8.5663 124.3758 60.8752 34.2225 174.0898 78 A 4.3649 8.2975 130.0770 50.1091 19.6483 177.7689 79 W 4.1619 8.5557 126.0360 56.4481 28.7114 176.3892 80 K 5.2097 7.9493 118.4261 54.6600 34.7133 174.3596 81 N 5.0007 8.8363 122.6628 51.7589 39.9150 173.5851 82 N 4.3119 8.3447 113.7571 55.2927 38.7604 175.2379 83 Y 4.7266 7.9621 114.9798 58.4872 40.2308 176.0413 84 R 4.7321 7.7651 116.3653 54.9927 34.3069 173.9477 85 N 5.0460 8.4391 118.2681 53.2787 40.3461 173.9673 86 A 4.2426 8.9432 128.8443 51.9688 19.5540 176.3231 87 H 4.1800 8.6644 113.9056 56.0094 26.9383 173.5011 88 S 5.2370 7.4744 111.1246 57.8120 66.9896 174.1768 89 A 4.8906 9.0078 121.2287 50.9156 22.8254 175.2256 90 T 4.9099 8.4092 118.4809 61.7980 71.3758 173.5590 91 T 4.8837 8.3805 115.7521 59.6454 71.7185 172.9061 92 W 4.9776 8.6970 125.2093 54.8249 31.5969 174.6927 93 S 5.0112 8.7391 119.9853 56.8653 64.6642 173.0469 94 G 4.6218 8.5538 113.4303 46.4684 0.0000 171.6261 95 Q 5.3246 8.4545 117.8097 54.7640 32.7598 173.6731 96 Y 4.8928 9.1814 123.6957 57.0137 40.5986 174.0977 97 V 4.1231 8.4522 126.8113 61.1987 34.0756 175.4676 98 G 3.9373 8.0473 118.9865 44.3952 0.0000 170.8869 99 G 3.7726 8.6950 104.6282 44.1077 0.0000 173.8487 100 A 4.2966 8.4446 120.2046 54.4957 18.7912 177.9807 101 E 4.6596 7.2825 113.0162 54.3732 29.5873 175.4161 102 A 4.5017 7.7884 121.6367 52.2828 19.9337 177.7780 103 R 5.2759 9.1293 118.3223 54.8785 35.6215 174.3522 104 I 4.9358 8.9656 122.0202 59.9145 39.9507 174.3711 105 N 5.3940 9.1463 126.0052 51.9470 40.3739 174.5961 106 T 5.3386 9.1736 113.5339 60.0648 72.8528 172.8111 107 Q 5.2906 9.0277 121.2400 54.0207 32.4200 174.7025 108 W 5.5369 8.4792 118.0427 54.8469 32.4059 173.7456 109 L 5.1942 8.8405 120.4045 52.9488 44.9661 175.1920 110 L 4.9789 9.2858 126.6000 53.8018 44.3001 174.8614 111 T 5.0202 8.6997 123.8155 62.0708 70.7501 173.9993 112 S 5.1542 8.6620 122.5967 56.4988 65.0205 174.5016 113 G 3.8688 8.7596 111.8927 46.7718 0.0000 173.0040 114 T 4.7958 8.3063 113.7477 59.5193 72.5477 173.2536 115 T 4.2790 8.0637 112.0858 61.0394 69.9618 175.3899 116 E 4.0013 8.7279 120.7422 59.4384 29.1473 179.4036 117 A 4.2101 8.1240 119.4329 54.2589 18.7023 178.1765 118 N 4.8090 7.7575 112.7051 53.1774 39.1641 176.5811 119 A 4.2271 8.2338 126.7108 54.1081 18.1636 180.2171 120 W 4.3111 8.3196 113.8070 58.4513 28.4142 176.8322 121 K 4.0386 6.7115 118.0993 56.1331 32.1660 177.4333 122 S 4.1643 7.8002 116.4292 60.9778 63.4572 173.3583 123 T 5.0048 7.4923 117.1197 61.6919 70.9118 173.6799 124 L 4.6171 8.8838 127.2133 53.8783 43.6304 176.2971 125 V 4.2886 7.6957 120.2729 60.3414 34.5205 175.3169 126 G 3.3251 6.1835 107.6147 45.8536 0.0000 171.4261 127 H 5.5362 8.2261 114.0224 54.2892 32.0208 172.3112 128 D 4.9028 9.2481 117.9614 53.6070 45.1492 173.8512 129 T 5.2660 8.4775 120.6500 61.8907 71.2597 173.3146 130 F 5.3798 9.5140 124.7689 56.2774 42.1352 174.8361 131 T 5.4349 9.2806 117.8009 61.8938 72.3792 175.2397 132 K 3.7346 8.7579 121.4670 57.6433 32.6396 177.6676 133 V 3.8671 7.6321 123.0267 62.7618 31.6096 174.8522 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 16 G 8.25 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 0.00 0.00 0.00 0.00 17 I 7.30 3.67 1.36 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 -0.36 0.57 0.00 0.00 18 T 7.78 4.00 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 1.21 0.00 0.00 19 G 7.75 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.71 4.64 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 0.68 0.00 0.00 21 W 8.05 4.73 0.00 1.78 2.41 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 0.00 22 Y 9.19 5.33 0.00 2.86 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 23 N 8.76 5.26 0.00 2.78 2.42 0.00 0.00 6.91 7.42 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 24 Q 8.56 4.43 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 7.14 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 25 L 8.38 4.55 0.00 1.82 1.72 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.59 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 27 S 8.60 5.07 0.00 4.19 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 28 T 8.49 5.06 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 0.83 0.00 0.00 29 F 8.41 5.16 0.00 2.90 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 8.61 4.95 1.77 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.48 0.88 0.00 0.00 31 V 8.83 5.00 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 0.83 0.00 0.00 0.72 0.00 0.00 32 T 8.86 4.69 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 1.18 0.00 0.00 33 A 8.72 4.38 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.33 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 35 A 8.56 4.16 1.31 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 0.00 0.00 36 D 8.16 4.59 0.00 2.77 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 37 G 8.34 3.38 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 0.00 38 A 8.12 4.79 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 39 L 8.86 5.27 0.00 1.59 1.43 1.07 0.54 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 40 T 8.76 4.89 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 1.21 0.00 0.00 41 G 7.36 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 0.00 0.00 0.00 0.00 42 T 7.68 5.14 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 1.32 0.00 0.00 43 F 9.55 5.10 0.00 2.97 2.96 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 0.00 0.00 0.00 44 E 9.15 5.33 0.00 2.06 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 2.46 2.31 0.00 45 S 9.66 4.75 0.00 4.07 4.42 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 46 A 8.11 4.70 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 *51 E 8.04 4.08 0.00 1.85 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 1.47 1.85 0.00 52 S 7.88 4.94 0.00 4.07 4.12 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 0.00 0.00 0.00 53 R 7.85 5.29 0.00 1.70 1.91 0.00 3.17 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 54 Y 9.10 4.91 0.00 2.86 2.74 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 55 V 8.63 4.31 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 0.78 0.00 0.00 0.94 0.00 0.00 56 L 8.75 5.07 0.00 1.67 1.61 0.42 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.50 4.99 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 1.28 0.00 0.00 58 G 8.75 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 0.00 0.00 0.00 0.00 59 R 8.66 5.55 0.00 1.75 1.78 0.00 3.29 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 60 Y 8.59 5.28 0.00 3.11 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 61 D 9.05 4.29 0.00 2.72 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 62 S 8.16 4.13 0.00 3.88 3.44 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 63 A 8.07 4.70 1.22 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 0.00 0.00 64 P 0.00 4.79 0.00 2.28 2.18 0.00 3.44 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 65 A 8.36 4.21 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 66 T 8.23 4.73 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 67 D 8.13 4.79 0.00 2.77 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 68 G 8.45 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 0.00 0.00 0.00 69 S 7.93 4.34 0.00 3.96 3.84 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 70 G 8.35 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 0.00 0.00 0.00 71 T 8.88 4.79 4.55 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 1.44 0.00 0.00 72 A 8.69 4.81 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 73 L 8.94 5.05 0.00 2.07 1.94 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.25 4.64 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 75 W 8.59 5.73 0.00 3.39 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 76 T 9.23 5.14 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 1.19 0.00 0.00 77 V 8.57 4.53 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 -0.25 0.00 0.00 0.71 0.00 0.00 78 A 8.30 4.36 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 79 W 8.56 4.16 0.00 3.35 2.86 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 0.00 0.00 0.00 80 K 7.95 5.21 0.00 1.89 1.72 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.44 7.81 81 N 8.84 5.00 0.00 2.63 2.55 0.00 0.00 7.05 7.76 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 82 N 8.34 4.31 0.00 1.61 2.33 0.00 0.00 6.62 7.46 0.00 0.00 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 Y 7.96 4.73 0.00 3.02 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 84 R 7.77 4.73 0.00 2.04 1.92 0.00 3.44 0.00 0.00 3.40 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 85 N 8.44 5.05 0.00 2.66 2.61 0.00 0.00 6.97 7.96 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 86 A 8.94 4.24 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 87 H 8.66 4.18 0.00 3.34 3.31 0.00 5.65 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.47 5.24 0.00 4.00 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 89 A 9.01 4.89 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 0.00 0.00 0.00 0.00 0.00 90 T 8.41 4.91 3.41 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 -0.53 0.00 0.00 91 T 8.38 4.88 4.15 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 1.13 0.00 0.00 92 W 8.70 4.98 0.00 1.78 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 0.00 0.00 0.00 0.00 93 S 8.74 5.01 0.00 3.81 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 94 G 8.55 4.62 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 0.00 0.00 0.00 95 Q 8.45 5.32 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.89 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 96 Y 9.18 4.89 0.00 3.04 2.91 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 97 V 8.45 4.12 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 0.93 0.00 0.00 0.91 0.00 0.00 98 G 8.05 3.94 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 0.00 99 G 8.69 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.44 4.30 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 0.00 101 E 7.28 4.66 0.00 1.97 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 2.22 0.00 102 A 7.79 4.50 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 R 9.13 5.28 0.00 1.75 1.91 0.00 3.35 0.00 0.00 3.33 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.82 0.00 104 I 8.97 4.94 1.78 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 -0.33 1.14 0.00 0.00 105 N 9.15 5.39 0.00 2.73 2.82 0.00 0.00 6.10 6.66 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 0.00 106 T 9.17 5.34 4.52 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 1.55 0.00 0.00 107 Q 9.03 5.29 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.74 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 108 W 8.48 5.54 0.00 2.70 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 0.00 109 L 8.84 5.19 0.00 1.51 1.53 0.87 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.29 4.98 0.00 1.70 1.76 1.03 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.70 5.02 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 1.19 0.00 0.00 112 S 8.66 5.15 0.00 3.70 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 0.00 113 G 8.76 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 0.00 114 T 8.31 4.80 4.19 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 1.21 0.00 0.00 115 T 8.06 4.28 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 1.21 0.00 0.00 116 E 8.73 4.00 0.00 2.02 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 2.33 0.00 117 A 8.12 4.21 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 0.00 118 N 7.76 4.81 0.00 2.73 2.69 0.00 0.00 6.73 6.84 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 0.00 119 A 8.23 4.23 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 0.00 120 W 8.32 4.31 0.00 3.64 3.29 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 0.00 121 K 6.71 4.04 0.00 1.24 0.74 0.00 1.25 0.00 0.00 1.23 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.30 0.88 7.81 122 S 7.80 4.16 0.00 4.16 4.12 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 0.00 0.00 0.00 123 T 7.49 5.00 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 1.22 0.00 0.00 124 L 8.88 4.62 0.00 1.82 1.71 0.97 0.59 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 0.00 125 V 7.70 4.29 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 0.53 0.00 0.00 0.70 0.00 0.00 126 G 6.18 3.33 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 0.00 127 H 8.23 5.54 0.00 3.20 3.17 0.00 5.74 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.25 4.90 0.00 3.24 2.78 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 0.00 129 T 8.48 5.27 4.30 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 1.36 0.00 0.00 130 F 9.51 5.38 0.00 3.11 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 0.00 131 T 9.28 5.43 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 1.34 0.00 0.00 132 K 8.76 3.73 0.00 1.51 1.51 0.00 1.48 0.00 0.00 1.24 0.00 0.00 2.54 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.30 0.61 7.81 133 V 7.63 3.87 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 0.70 0.00 0.00 0.88 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.