NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3039 8.2493 123.5795 50.8961 19.9486 176.5759 2 P 4.2982 0.0000 0.0000 62.5543 31.4973 174.3844 3 Q 4.4210 8.9964 121.2453 56.5146 31.3351 176.0908 4 N 4.8306 7.4362 113.9479 51.1678 41.2113 174.7623 5 I 3.7085 8.2182 119.4549 64.2953 37.9626 177.7954 6 T 3.8435 7.8893 116.4425 66.5115 68.1414 176.3676 7 E 3.9421 8.5581 119.6680 59.3999 29.8323 179.0049 8 L 4.0488 7.9979 119.0291 58.0525 41.3210 178.8813 9 C 4.5377 8.5307 118.4997 59.6435 43.3442 175.5405 10 S 3.9729 7.7746 115.1368 60.6812 62.4187 175.6037 11 E 4.1137 7.8278 120.3767 57.0414 29.5907 176.2336 12 Y 4.6919 6.8059 115.6625 57.1330 39.4900 174.3371 13 H 4.8943 8.8777 118.2273 55.6600 30.7543 174.8086 14 N 4.3651 8.9015 118.2502 55.1537 35.7093 173.6576 15 T 5.3388 7.8856 105.8041 60.2679 72.2825 172.9639 16 Q 4.6053 8.9535 119.5644 55.0822 32.7599 173.1610 17 I 4.6786 8.1123 120.6189 60.3526 38.8153 174.7720 18 Y 4.2646 8.9251 125.1986 56.2184 39.9324 174.2980 19 E 4.6078 8.7344 126.1774 55.4351 30.0920 174.4686 20 L 4.3453 8.9774 126.5058 55.2310 43.5400 177.7114 21 N 4.2215 7.9454 114.1154 53.7273 36.3543 173.5248 22 K 4.6789 7.9161 115.0811 54.6147 36.9098 176.5804 23 E 4.7386 8.5776 118.8671 55.8272 30.5407 176.5225 24 I 3.4120 8.1019 121.2420 61.1886 37.8193 176.1289 25 K 4.3395 8.6479 127.5119 58.8179 33.0119 177.2511 26 T 4.6374 7.4795 117.2804 61.7464 72.9290 172.5248 27 Y 4.7698 8.0366 126.0003 55.9402 41.3339 174.5905 28 T 4.4747 8.1809 122.7623 61.5470 72.5289 172.5840 29 E 5.0439 8.5040 125.7401 54.4145 32.7254 174.5789 30 S 4.7515 9.0165 120.5476 56.0869 66.9873 173.5753 31 L 4.2187 8.6852 122.0961 55.4931 41.7027 177.0644 32 A 4.6473 8.1347 127.3497 52.2220 19.6522 175.5444 33 G 3.9187 8.3796 104.6136 47.8396 0.0000 173.4897 *36 E 4.1815 8.0249 117.9975 55.6164 30.5774 174.7705 37 M 4.3337 8.6770 126.6204 55.3435 33.9297 174.8939 38 V 4.6700 8.3124 124.4763 61.1056 35.0802 173.9080 39 I 5.2071 8.6543 128.4622 59.3533 40.7103 174.4262 40 I 5.0384 8.9718 120.3027 59.0700 40.6778 174.5904 41 S 5.2057 8.8049 117.9897 56.8116 66.8686 172.6707 42 F 5.1223 8.7284 118.7186 55.3163 41.7523 176.7795 43 A 4.0941 9.0228 123.2411 55.0304 18.2396 178.3528 44 N 4.5847 8.2967 110.9364 53.1148 37.9063 176.0789 45 G 3.8849 8.5252 108.2979 44.8409 0.0000 173.7495 46 A 3.9459 8.3680 122.7939 52.5699 19.3783 176.9345 47 T 4.9929 7.5374 117.8439 61.7594 72.2798 173.4612 48 F 5.2502 9.2916 123.5285 55.8551 44.0068 173.5906 49 Q 5.1908 8.9749 118.9630 54.1701 32.0438 174.6681 50 V 4.2442 8.2104 120.7771 62.0452 32.1797 174.0090 51 E 5.1718 8.1142 127.3057 55.5952 32.2897 177.7400 *61 Q 4.3463 8.2940 121.2499 54.7007 30.3338 175.5272 62 K 3.7821 7.7117 115.8875 60.8241 31.9945 178.0589 63 R 3.9053 7.8735 117.5604 59.0379 30.3876 177.0221 64 P 4.3148 0.0000 0.0000 66.0053 31.2161 178.2740 65 L 4.0803 8.2638 119.0862 57.3855 41.5034 179.2246 66 E 4.0148 8.3683 117.7518 59.3674 29.3957 179.2801 67 R 3.8726 7.9719 119.4402 59.3683 30.2204 178.1370 68 M 4.0513 8.1139 118.0152 58.6410 32.2353 178.2931 69 K 4.0866 8.2608 118.6002 59.6438 32.1627 179.0444 70 D 4.4122 8.3481 119.1598 57.6429 40.6408 179.0313 71 T 3.8951 8.1049 116.3062 66.6584 68.5096 176.8137 72 L 4.0857 8.1250 120.8966 57.6676 41.6716 179.3941 73 R 3.6010 8.3109 118.4705 59.4339 30.0171 178.3296 74 A 3.9975 8.2801 120.3374 55.1313 18.3985 179.1862 75 A 3.9651 8.3764 119.6167 55.5776 18.1818 179.1559 76 Y 3.9111 7.9061 116.4601 61.1006 39.0157 178.2609 77 F 3.8896 8.3004 117.3105 59.8209 39.0681 176.8355 78 T 4.4054 7.8727 107.3313 60.6746 69.3654 175.2189 79 G 3.7701 7.8364 109.7857 46.3746 0.0000 173.9383 80 I 4.1063 7.5684 111.8092 59.6919 37.4471 175.2393 81 K 4.4179 8.3694 121.5272 56.3203 33.5823 176.1512 82 V 4.0420 8.9114 126.0882 62.5995 32.2782 176.1467 83 S 4.3657 9.0182 124.1198 60.0490 62.8142 173.5357 84 K 5.0976 7.7573 117.5800 54.6199 36.8973 174.5564 85 L 5.0507 8.6846 122.1485 53.0567 45.5126 174.5672 86 C 5.0858 8.7850 123.3186 55.2314 45.4815 172.8572 87 V 4.8888 8.5402 118.8551 59.1451 36.0712 174.7898 88 W 4.9258 9.3701 124.2837 56.4099 29.7925 176.4226 89 N 5.2031 9.2654 122.6043 52.3396 37.7187 175.2057 90 N 5.0428 8.1566 115.8876 52.7212 37.8177 174.4919 91 K 4.6815 7.8581 116.3279 55.7797 36.1801 175.6233 92 T 4.5233 8.2315 117.1419 60.8985 70.7153 172.2920 93 P 4.5484 0.0000 0.0000 62.1242 32.7387 175.6868 94 N 4.8511 8.5705 116.5907 53.2829 39.8188 174.2040 95 S 5.3328 8.7611 117.1434 57.0860 64.6569 172.8975 96 I 4.3677 8.5244 127.9603 61.0718 37.0496 175.4846 97 A 3.9845 8.6328 129.1539 53.2929 19.8592 176.9318 98 A 4.6638 7.2638 114.4015 50.6702 23.0333 175.0897 99 I 4.8583 8.2137 118.6961 59.0831 41.5227 174.0208 100 E 4.6873 9.2432 129.7224 54.3901 32.0409 174.2355 101 L 5.0587 8.2822 126.5676 53.1628 44.0441 176.5495 102 S 4.1705 8.0450 115.2566 59.0287 62.8675 174.6051 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 1 A 8.25 4.30 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 2 P 0.00 4.30 0.00 2.24 2.04 0.00 3.71 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.26 0.00 3 Q 9.00 4.42 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.65 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 4 N 7.44 4.83 0.00 2.97 2.86 0.00 0.00 5.90 7.80 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 5 I 8.22 3.71 1.85 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 1.60 1.54 0.95 0.00 0.00 6 T 7.89 3.84 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 1.19 0.00 0.00 7 E 8.56 3.94 0.00 2.05 1.98 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 2.32 2.47 0.00 8 L 8.00 4.05 0.00 1.87 1.79 0.94 0.67 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 9 C 8.53 4.54 0.00 3.16 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 10 S 7.77 3.97 0.00 4.01 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 11 E 7.83 4.11 0.00 1.61 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 2.22 2.49 0.00 12 Y 6.81 4.69 0.00 2.84 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 13 H 8.88 4.89 0.00 3.32 3.33 0.00 5.84 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 14 N 8.90 4.37 0.00 3.23 3.07 0.00 0.00 6.58 7.05 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 15 T 7.89 5.34 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 0.60 0.00 0.00 16 Q 8.95 4.61 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.88 0.00 0.00 0.00 0.00 0.00 2.38 2.20 0.00 17 I 8.11 4.68 1.78 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 1.28 0.81 0.84 0.00 0.00 18 Y 8.93 4.26 0.00 2.76 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 19 E 8.73 4.61 0.00 1.92 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 2.20 2.29 0.00 20 L 8.98 4.35 0.00 1.32 1.21 0.08 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 21 N 7.95 4.22 0.00 2.85 2.83 0.00 0.00 6.82 7.45 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 22 K 7.92 4.68 0.00 2.00 1.81 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.54 7.81 23 E 8.58 4.74 0.00 2.08 1.98 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 2.32 2.36 0.00 24 I 8.10 3.41 2.02 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.55 0.93 0.00 0.00 25 K 8.65 4.34 0.00 1.78 1.94 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.45 7.81 26 T 7.48 4.64 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 1.10 0.00 0.00 27 Y 8.04 4.77 0.00 2.17 1.73 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 28 T 8.18 4.47 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 29 E 8.50 5.04 0.00 1.67 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 2.34 2.29 0.00 30 S 9.02 4.75 0.00 3.83 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 31 L 8.69 4.22 0.00 1.65 1.66 0.92 0.78 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 32 A 8.13 4.65 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 33 G 8.38 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 0.00 0.00 0.00 *36 E 8.02 4.18 0.00 1.98 1.93 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 0.00 2.19 2.46 0.00 37 M 8.68 4.33 0.00 2.09 1.88 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.43 0.00 38 V 8.31 4.67 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 0.89 0.00 0.00 0.94 0.00 0.00 39 I 8.65 5.21 1.72 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.57 0.88 0.00 0.00 40 I 8.97 5.04 1.75 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.10 1.00 0.00 0.00 41 S 8.80 5.21 0.00 3.87 3.86 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 42 F 8.73 5.12 0.00 3.27 3.06 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 43 A 9.02 4.09 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 N 8.30 4.58 0.00 2.87 3.00 0.00 0.00 6.23 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.53 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.37 3.95 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 47 T 7.54 4.99 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 1.10 0.00 0.00 48 F 9.29 5.25 0.00 2.95 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 49 Q 8.97 5.19 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.02 0.00 0.00 0.00 0.00 0.00 2.56 2.33 0.00 50 V 8.21 4.24 2.12 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 0.82 0.00 0.00 1.00 0.00 0.00 51 E 8.11 5.17 0.00 2.23 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 2.02 0.00 *61 Q 8.29 4.35 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.75 0.00 0.00 0.00 0.00 0.00 2.26 1.93 0.00 62 K 7.71 3.78 0.00 1.82 1.81 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.55 7.81 63 R 7.87 3.91 0.00 1.93 1.93 0.00 3.26 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 64 P 0.00 4.31 0.00 2.37 2.35 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.11 0.00 65 L 8.26 4.08 0.00 1.96 1.79 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.37 4.01 0.00 2.23 2.37 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 2.46 2.34 0.00 67 R 7.97 3.87 0.00 1.96 2.15 0.00 3.12 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 68 M 8.11 4.05 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.68 0.00 69 K 8.26 4.09 0.00 2.06 1.93 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.66 7.81 70 D 8.35 4.41 0.00 2.89 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 71 T 8.10 3.90 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 1.25 0.00 0.00 72 L 8.13 4.09 0.00 1.87 1.90 1.02 0.70 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 73 R 8.31 3.60 0.00 2.01 2.14 0.00 3.06 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.39 0.00 74 A 8.28 4.00 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 75 A 8.38 3.97 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 7.91 3.91 0.00 2.99 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 77 F 8.30 3.89 0.00 2.96 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 78 T 7.87 4.41 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 1.25 0.00 0.00 79 G 7.84 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 80 I 7.57 4.11 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.54 0.92 0.00 0.00 81 K 8.37 4.42 0.00 1.77 1.81 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.57 1.47 7.81 82 V 8.91 4.04 2.44 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 0.94 0.00 0.00 1.16 0.00 0.00 83 S 9.02 4.37 0.00 3.96 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 84 K 7.76 5.10 0.00 1.63 1.55 0.00 1.62 0.00 0.00 1.77 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.41 7.81 85 L 8.68 5.05 0.00 1.13 1.14 0.22 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.79 5.09 0.00 2.88 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 87 V 8.54 4.89 2.26 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 0.42 0.00 0.00 1.24 0.00 0.00 88 W 9.37 4.93 0.00 3.36 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 89 N 9.27 5.20 0.00 2.85 3.07 0.00 0.00 6.95 7.55 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 90 N 8.16 5.04 0.00 2.88 2.99 0.00 0.00 5.91 7.13 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 91 K 7.86 4.68 0.00 1.95 1.71 0.00 1.53 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.52 7.81 92 T 8.23 4.52 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 1.19 0.00 0.00 93 P 0.00 4.55 0.00 2.09 1.98 0.00 3.75 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 94 N 8.57 4.85 0.00 2.90 3.06 0.00 0.00 7.17 7.57 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 95 S 8.76 5.33 0.00 4.03 4.11 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 0.00 0.00 0.00 96 I 8.52 4.37 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.83 0.89 0.00 0.00 97 A 8.63 3.98 -0.64 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 98 A 7.26 4.66 1.17 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 99 I 8.21 4.86 1.86 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 1.25 0.99 0.93 0.00 0.00 100 E 9.24 4.69 0.00 2.01 1.73 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 2.18 2.23 0.00 101 L 8.28 5.06 0.00 1.56 1.57 0.95 0.94 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 0.00 102 S 8.04 4.17 0.00 3.75 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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.