NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 S 4.6511 8.3349 119.0131 58.2763 64.2623 173.4055 16 Q 3.8879 9.0418 122.9396 54.9060 30.0257 173.8447 17 N 5.0794 8.8009 120.9900 52.1475 41.9588 172.9523 18 F 5.0397 9.0616 125.2701 55.1452 42.4609 175.3622 19 L 4.5137 8.7747 121.6772 55.2873 42.3186 176.3504 20 F 4.8884 9.3463 124.6977 56.5977 42.7160 173.7781 21 G 4.1643 7.2303 110.6105 45.2384 0.0000 171.4545 22 C 4.6219 8.4772 114.9148 56.2919 33.6169 172.1624 23 E 4.6463 8.4986 120.1415 54.2119 31.7310 174.8554 24 L 5.0939 8.4179 126.1867 53.1003 45.4775 175.7706 25 K 4.5165 8.8656 120.6778 56.4443 35.9497 175.7527 26 A 3.9977 8.5223 122.6885 55.8415 18.3221 178.6709 27 D 4.5500 8.2728 113.8171 56.9988 40.9071 178.1012 28 K 4.4329 7.7487 123.7060 54.7453 32.8750 175.9847 29 K 4.3071 8.3937 124.2693 57.3328 33.3502 176.0828 30 E 5.3569 8.1225 118.3373 54.5859 33.1404 174.8424 31 Y 4.5241 8.8598 122.6153 56.0437 42.3158 173.6018 32 S 4.7969 7.8799 121.5186 56.5091 64.4103 172.7326 33 F 4.6894 9.1290 130.9188 56.8007 40.3727 174.5436 34 K 4.8731 7.8953 125.0691 54.3832 35.6971 176.3389 35 V 4.3046 8.1072 122.5723 59.7127 35.3783 174.4276 36 E 3.7910 8.8758 121.8015 57.5013 27.9740 177.6719 *39 E 4.1156 8.9290 123.6675 56.8940 31.9379 173.5446 40 N 4.4353 8.9252 111.5255 51.7585 37.4181 173.2231 41 E 4.7851 8.7774 118.8884 55.9532 32.9259 174.8011 42 H 5.5737 9.1021 121.3540 54.1628 31.7244 173.6324 43 Q 4.7579 9.0946 120.3106 54.1119 33.5288 173.6992 44 L 4.4133 8.8097 125.5098 53.3867 44.2223 174.9575 45 S 5.0543 8.8697 122.6013 56.5138 64.2183 172.6805 46 L 4.4605 8.8328 129.0141 54.8711 42.4737 177.1347 47 R 4.4556 9.4907 122.5233 57.5845 32.1136 176.1598 48 T 5.1998 7.8344 106.7682 59.9136 73.0767 172.2696 49 V 5.0808 8.7508 122.2005 61.2734 34.5610 174.5172 50 S 5.2089 9.2556 121.4216 56.7530 66.9447 172.6846 51 L 4.9000 8.5641 121.5251 53.8009 42.9026 177.2135 52 G 4.0482 9.0371 110.7961 45.2339 0.0000 174.6411 53 A 4.1320 8.6447 122.7617 54.7608 18.4418 178.7089 54 S 4.4863 7.9678 107.4833 58.2674 63.6747 174.1733 55 A 4.4432 7.7521 124.5873 51.2429 18.6811 178.0827 56 K 4.1202 8.3800 122.0105 56.8098 32.7217 177.5221 57 D 4.6987 8.3021 122.1934 52.2267 39.6343 174.9521 58 E 4.7163 7.7645 118.4063 53.9753 32.3125 175.7082 59 L 4.3129 8.4984 122.8221 56.0603 42.8383 175.6904 60 H 5.1702 9.5652 123.2263 53.9739 32.0090 172.9984 61 V 4.8362 8.8016 122.4763 61.0369 34.7481 174.0691 62 V 4.9387 8.8927 128.1460 61.0409 33.7723 174.0660 63 E 5.2645 9.3721 125.6653 54.4905 32.9598 174.5673 64 A 5.1858 8.7966 122.6252 50.1949 22.3959 175.0247 65 E 4.9126 8.8963 121.8683 54.7167 32.9865 175.2222 66 G 4.4555 8.5311 112.5597 45.8918 0.0000 171.9230 67 I 4.6889 8.4987 120.9746 61.0902 38.1755 176.2981 68 N 5.0407 8.9083 124.6851 51.4843 39.8200 175.1515 69 Y 4.3293 8.8718 115.6316 59.0645 38.2691 176.0301 70 E 3.8946 8.1168 119.5702 55.8855 29.6186 177.0038 71 G 3.8904 8.0925 106.9403 45.6283 0.0000 173.4924 72 K 4.6740 7.7642 119.2052 54.5653 34.4853 175.6754 73 T 4.6844 8.4875 115.3293 61.4915 69.6728 173.8104 74 I 4.7035 9.1433 119.4672 58.8494 41.4569 174.2099 75 K 5.1920 8.6191 122.3585 54.6654 34.0034 175.7178 76 I 4.7394 8.7756 118.1701 58.9154 41.0806 174.1749 77 A 4.6227 8.6098 126.2125 51.4488 19.1608 176.9959 78 L 4.4839 9.0537 123.3637 56.9614 42.9603 177.3660 79 A 4.5863 7.5716 116.7836 51.0366 22.5659 175.3764 80 S 5.1898 8.8036 116.9169 56.8347 65.3406 173.6123 81 L 5.0821 9.0377 124.2266 53.0596 46.3079 175.5812 82 K 4.7980 8.6419 121.0924 54.8831 35.3867 175.2656 83 P 4.3369 0.0000 0.0000 65.5964 31.4571 177.4430 84 S 4.4680 8.0939 109.6010 58.9018 63.5409 174.1400 85 V 4.2083 7.6072 118.5263 64.4077 33.3572 176.1683 86 Q 4.6740 8.3478 121.7428 54.7381 30.6020 172.0570 87 P 4.4887 0.0000 0.0000 64.6115 33.0099 176.6501 88 T 5.2077 7.8113 115.1864 61.5768 72.5082 173.5394 89 V 4.4236 8.6753 124.2720 61.1289 34.8636 174.0659 90 S 4.9724 8.7087 122.7036 57.6001 62.5686 173.7504 91 L 4.1213 8.9504 127.6369 54.6559 42.2079 177.8588 92 G 3.7167 8.7181 106.3364 46.3754 0.0000 173.6297 93 G 3.8546 8.3094 103.3979 46.2913 0.0000 175.6831 94 F 4.5690 8.4078 121.1775 57.5414 40.1325 174.8979 95 E 4.7546 8.8395 125.9696 56.2400 30.3143 176.5746 96 I 4.7209 8.9872 124.4128 59.7182 41.4428 174.6480 97 T 4.7900 8.5704 123.1832 62.1752 69.0837 173.2395 98 P 4.5714 0.0000 0.0000 62.1090 32.2343 174.0058 99 P 5.0912 0.0000 0.0000 62.4553 33.0224 175.4177 100 V 4.7768 8.7187 119.5380 60.4807 35.2720 173.5547 101 I 4.9064 8.7025 123.8629 59.8629 39.6493 174.5132 102 L 5.1901 8.9563 126.4970 53.3701 44.2382 175.5942 103 R 5.1090 8.8377 122.2843 54.8245 34.1150 173.9626 104 L 4.5380 8.9403 129.2602 54.5874 41.1496 176.3588 105 K 4.3105 9.1542 129.0103 58.9237 32.7048 176.8272 106 S 4.6099 7.8319 112.5797 57.5082 66.8152 174.4696 107 G 4.1257 8.8296 105.0686 45.3488 0.0000 174.1209 108 S 4.0647 8.9776 114.1607 60.4942 62.9271 176.3065 109 G 4.2821 8.3149 110.2764 43.5392 0.0000 170.2838 110 P 4.5575 0.0000 0.0000 62.9482 32.7514 175.4872 111 V 4.8357 8.7446 121.7679 61.3978 34.6397 173.7140 112 Y 5.0360 9.2311 124.7723 56.1263 41.4353 174.7174 113 V 4.9746 8.6762 122.6481 61.0933 34.7925 174.3801 114 S 5.2270 8.9250 122.3806 57.0373 66.3523 174.0403 115 G 4.0587 8.3746 106.3038 46.6559 0.0000 171.4991 116 Q 5.2985 8.4013 118.8453 54.3929 32.4359 174.3409 117 H 5.2459 9.5545 123.7816 54.9056 31.7172 173.4758 118 L 5.3789 9.0926 126.1966 53.1994 44.7849 175.9166 119 V 4.8985 8.7564 121.6655 61.3550 35.2997 174.8273 120 A 4.4375 9.0851 129.1902 52.0706 19.2397 175.5806 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 15 S 8.33 4.65 0.00 3.41 3.72 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 16 Q 9.04 3.89 0.00 2.08 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.71 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 17 N 8.80 5.08 0.00 2.56 2.49 0.00 0.00 6.87 7.02 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 18 F 9.06 5.04 0.00 3.15 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 19 L 8.77 4.51 0.00 1.62 1.67 0.94 0.77 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 20 F 9.35 4.89 0.00 3.21 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 21 G 7.23 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 0.00 0.00 0.00 0.00 22 C 8.48 4.62 0.00 2.55 1.84 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 23 E 8.50 4.65 0.00 1.57 1.65 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 1.89 1.50 0.00 24 L 8.42 5.09 0.00 1.48 1.48 0.93 0.86 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 25 K 8.87 4.52 0.00 1.83 1.84 0.00 1.33 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.22 1.32 7.81 26 A 8.52 4.00 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 27 D 8.27 4.55 0.00 2.67 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 28 K 7.75 4.43 0.00 1.67 1.62 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.40 7.81 29 K 8.39 4.31 0.00 1.76 1.83 0.00 1.66 0.00 0.00 1.98 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.74 1.47 7.81 30 E 8.12 5.36 0.00 1.81 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 2.21 2.27 0.00 31 Y 8.86 4.52 0.00 3.18 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 32 S 7.88 4.80 0.00 3.79 3.52 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 0.00 33 F 9.13 4.69 0.00 3.47 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 34 K 7.90 4.87 0.00 1.42 1.48 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.22 1.28 7.81 35 V 8.11 4.30 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 0.65 0.00 0.00 0.44 0.00 0.00 36 E 8.88 3.79 0.00 1.92 1.71 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 0.00 2.21 2.25 0.00 *39 E 8.93 4.12 0.00 2.00 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 2.23 2.35 0.00 40 N 8.93 4.44 0.00 2.80 3.30 0.00 0.00 6.64 7.66 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 41 E 8.78 4.79 0.00 1.91 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 42 H 9.10 5.57 0.00 3.09 3.35 0.00 5.64 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 43 Q 9.09 4.76 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 44 L 8.81 4.41 0.00 0.51 1.10 -0.79 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.87 5.05 0.00 3.87 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 46 L 8.83 4.46 0.00 1.57 1.53 0.62 0.46 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 47 R 9.49 4.46 0.00 1.84 1.96 0.00 3.25 0.00 0.00 3.24 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 48 T 7.83 5.20 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 1.23 0.00 0.00 49 V 8.75 5.08 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 1.06 0.00 0.00 0.96 0.00 0.00 50 S 9.26 5.21 0.00 3.87 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 51 L 8.56 4.90 0.00 1.55 1.59 0.86 0.60 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 52 G 9.04 4.05 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 0.00 0.00 0.00 53 A 8.64 4.13 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 54 S 7.97 4.49 0.00 4.01 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 55 A 7.75 4.44 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 56 K 8.38 4.12 0.00 1.81 1.79 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.41 7.81 57 D 8.30 4.70 0.00 2.63 2.61 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 58 E 7.76 4.72 0.00 2.05 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.13 0.00 59 L 8.50 4.31 0.00 1.67 1.63 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 60 H 9.57 5.17 0.00 3.03 3.18 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.80 4.84 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 1.05 0.00 0.00 0.95 0.00 0.00 62 V 8.89 4.94 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 0.93 0.00 0.00 0.95 0.00 0.00 63 E 9.37 5.26 0.00 2.22 2.01 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 2.31 2.23 0.00 64 A 8.80 5.19 1.13 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 0.00 0.00 65 E 8.90 4.91 0.00 1.99 1.77 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 2.19 2.23 0.00 66 G 8.53 4.46 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 0.00 67 I 8.50 4.69 1.90 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 1.41 0.86 0.93 0.00 0.00 68 N 8.91 5.04 0.00 2.84 3.02 0.00 0.00 6.58 8.22 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 69 Y 8.87 4.33 0.00 3.14 3.10 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 70 E 8.12 3.89 0.00 1.82 1.78 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 1.97 2.18 0.00 71 G 8.09 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 0.00 0.00 0.00 72 K 7.76 4.67 0.00 1.79 1.70 0.00 1.63 0.00 0.00 1.84 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.50 7.81 73 T 8.49 4.68 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 74 I 9.14 4.70 1.90 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 1.38 0.96 0.93 0.00 0.00 75 K 8.62 5.19 0.00 1.64 1.91 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.40 7.81 76 I 8.78 4.74 1.95 0.00 0.00 1.00 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 0.89 0.97 0.00 0.00 77 A 8.61 4.62 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 78 L 9.05 4.48 0.00 1.62 1.76 0.79 0.52 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 79 A 7.57 4.59 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 80 S 8.80 5.19 0.00 3.75 3.79 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 0.00 0.00 0.00 81 L 9.04 5.08 0.00 1.55 1.66 1.04 0.78 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 K 8.64 4.80 0.00 1.84 1.61 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.46 7.81 83 P 0.00 4.34 0.00 2.09 2.10 0.00 3.91 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.07 0.00 84 S 8.09 4.47 0.00 4.02 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 85 V 7.61 4.21 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 0.84 0.00 0.00 0.94 0.00 0.00 86 Q 8.35 4.67 0.00 2.04 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 87 P 0.00 4.49 0.00 2.15 2.29 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 88 T 7.81 5.21 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 1.27 0.00 0.00 89 V 8.68 4.42 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 0.97 0.00 0.00 0.95 0.00 0.00 90 S 8.71 4.97 0.00 3.93 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 91 L 8.95 4.12 0.00 1.85 1.89 0.99 1.11 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 92 G 8.72 3.72 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 0.00 0.00 0.00 93 G 8.31 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 F 8.41 4.57 0.00 3.11 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 95 E 8.84 4.75 0.00 1.97 1.91 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 2.33 2.39 0.00 96 I 8.99 4.72 1.68 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.53 0.86 0.00 0.00 97 T 8.57 4.79 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 1.26 0.00 0.00 98 P 0.00 4.57 0.00 2.19 2.34 0.00 3.89 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 99 P 0.00 5.09 0.00 2.09 2.05 0.00 3.75 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 1.96 1.94 0.00 100 V 8.72 4.78 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 0.69 0.00 0.00 0.93 0.00 0.00 101 I 8.70 4.91 1.88 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 1.21 0.73 0.98 0.00 0.00 102 L 8.96 5.19 0.00 1.71 1.60 1.00 0.61 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 0.00 103 R 8.84 5.11 0.00 1.85 1.71 0.00 3.35 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 104 L 8.94 4.54 0.00 1.65 1.61 1.05 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 105 K 9.15 4.31 0.00 1.80 1.94 0.00 1.95 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.39 7.81 106 S 7.83 4.61 0.00 3.85 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 0.00 107 G 8.83 4.13 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 0.00 0.00 0.00 108 S 8.98 4.06 0.00 4.04 4.28 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 0.00 0.00 0.00 0.00 109 G 8.31 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.56 0.00 2.01 2.28 0.00 3.70 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.07 0.00 111 V 8.74 4.84 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 0.88 0.00 0.00 0.94 0.00 0.00 112 Y 9.23 5.04 0.00 2.93 2.84 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 0.00 113 V 8.68 4.97 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 1.10 0.00 0.00 0.95 0.00 0.00 114 S 8.92 5.23 0.00 3.89 3.93 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 0.00 0.00 0.00 115 G 8.37 4.06 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 0.00 0.00 0.00 116 Q 8.40 5.30 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 117 H 9.55 5.25 0.00 3.38 3.43 0.00 5.55 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 9.09 5.38 0.00 1.67 1.58 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 119 V 8.76 4.90 2.25 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 0.92 0.00 0.00 1.01 0.00 0.00 120 A 9.09 4.44 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 * Residues marked with a * may have inaccurate shift predictions.